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Home > Encyclopedia > Antioxidant 4010NA

Antioxidant 4010NA

Antioxidant 4010NA structure

Antioxidant 4010NA 

structure
  • CAS No:

    101-72-4

  • Formula:

    C15H18N2

  • Chemical Name:

    Antioxidant 4010NA

  • Synonyms:

    1,4-Benzenediamine,N1-(1-methylethyl)-N4-phenyl-;p-Phenylenediamine,N-isopropyl-N′-phenyl-;1,4-Benzenediamine,N-(1-methylethyl)-N′-phenyl-;N1-(1-Methylethyl)-N4-phenyl-1,4-benzenediamine;Cyzone IP;4-(Isopropylamino)diphenylamine;N-Isopropyl-N′-phenyl-p-phenylenediamine;Nonox ZA;N-2-Propyl-N′-phenyl-p-phenylenediamine;Santoflex 36;4010NA;Diafen FP;N-Phenyl-N1-isopropyl-p-phenylenediamine;Santoflex IP;Antioxidant IP;Ipognox 44;Antioxidant 4010NA;N-Isopropyl-N′-phenyl-p-phenyldiamine;N-Phenyl-N′-isopropyl-p-phenylenediamine;Flexzone 3C;p-(Isopropylamino)diphenylamine;ASM 4010MA;Permanax 115;Orflex PP;Antioxidant 40NA;N-Isopropyl-N′-phenyl-1,4-phenylenediamine;Diaphen FP;4-Anilino-N-isopropylaniline;N-Phenyl-N′-isopropyl-1,4-phenylenediamine;Antigene 3C;Antigen 3C;Nocrac 810NA;Accinox ZA;Vulkanox 4010NA;NA 4010;IPPD;810NA;Naugard I 4;Vulkanox 4020NA;Permanax IPPD;Diafen PP;Dusantox IPPD;Antioxidant CD;AO-CD;Santoflex IPPD;Nocrac 3C;Antage 3C;NSC 41029;N-(1-Methylethyl)-N′-phenyl-1,4-benzenediamine;Vulkanox 4010NA-LG;Nocrac 810MA;Flexzone 3P;Diaphene FP;4-Isopropylamino-1-phenylaminobenzene;N-Isopropyl-N′-phenyl-1,4-benzenediamine;Ozonone 3C;N 1040;N-Isopropyl-N′-phenyl-4-phenylenediamine;Vulkanox 4010A;N-Isopropyl-N′-phenyl-p-phenylendiamine;Vulkanox 4010;4010A;Antiozonant PD 1;PD 1;Antioxidant 4010A;Antioxidant 3C;N-Phenyl-N′-isopropyl-p-phenylanediamine;Antioxidant IPPD;121889-80-3;12771-90-3;59792-63-1;87133-56-0

  • Categories:

    Catalyst and Auxiliary  >  Antioxidants

Description

DARK GREY-TO-BLACK FLAKES.


N-isopropyl-n'-phenyl-p-phenylenediamine appears as dark gray to black flakes or brown-black small chip-like solid with an aromatic odor. (NTP, 1992)|OtherSolid; PelletsLargeCrystals|DARK GREY-TO-BLACK FLAKES.


N-isopropyl-n'-phenyl-p-phenylenediamine appears as dark gray to black flakes or brown-black small chip-like solid with an aromatic odor. (NTP, 1992)|N-isopropyl-N'-phenyl-p-phenylenediamine is the N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group. It has a role as an antioxidant and an allergen.|4-(Isopropylamino)diphenylamine, also known as IPPD, is a chemical compound commonly used as an antiozonant in rubbers, particularly those used for tires. It is also a known allergen. Sensitivity to this compound may be identified with a clinical patch test.|N-isopropyl-n'-phenyl-1,4-phenylenediamine is a Standardized Chemical Allergen. The physiologic effect of n-isopropyl-n'-phenyl-1,4-phenylenediamine is by means of Increased Histamine Release, and Cell-mediated Immunity.

Antioxidant 4010NA Basic Attributes

226.31700

226.32

202-969-7

0M7PSL4100

1108

41029

1673

DTXSID1025485

Dark gray to black flakes

3812301000

Characteristics

24.06000

4.39650

dark grey to black solid

1.04 g/cm3 @ Temp: 25 °C

75 °C

161 °C

230.9ºC

1.634

H2O: <0.1 g/100 mL at 18 ºC

Store in a cool, dry location. Keep away from heated pipes, ducts and direct sunlight.

0.00343 mm Hg at 194° F (NTP, 1992)

FP: 72-76 °C

May be sensitive to heat, air, light and moisture during long term storage. Insoluble in water.

Amines, Aromatic

N-ISOPROPYL-N'-PHENYL-P-PHENYLENEDIAMINE reacts with oxidizing agents (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Dust explosion possible if in powder or granular form, mixed with air.

Safety Information

III

6.1

3077

R36/37/38

S26; S36; S61; S60; S37; S24

ST2650000

Xi; N; Xn

Well closed.

Stable. Combustible. Incompatible with strong oxidizing agents.

P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, P501

H302

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

This chemical is combustible. (NTP, 1992)|Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 172 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P309+P311, P314, P321, P330, P333+P313, P337+P313, P363, P391, P405, and P501|P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P309+P311, P314, P321, P330, P333+P313, P363, P391, P405, and P501|P260, P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P309+P311, P314, P321, P330, P333+P313, P337+P313, P363, P405, and P501

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)|Use water spray, powder.

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Personal protection: chemical protection suit. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Well closed.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

The substance is irritating to the eyes and skin.

Repeated or prolonged contact may cause skin sensitization.

NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.

AVOID ALL CONTACT!

Use ventilation (not if powder), local exhaust or breathing protection.

Protective gloves. Protective clothing.

Wear safety goggles or face shield.

4-(Isopropylamino)diphenylamine was tentatively identified in new tire leachate by GC analyses(1).

Toxicity

4-(Iso-propylamino)diphenylamine's production and use as an antiozonant and antioxidant may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1.3X10+4(SRC), determined from a structure estimation method(2), indicates that 4-(iso-propylamino)diphenylamine is expected to be immobile in soil(SRC). Volatilization of 4-(iso-propylamino)diphenylamine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The estimated pKa of 4-(iso-propylamino)diphenylamine is 5.1(5), indicating that this compound will exist only slightly in the cation form(SRC). Cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts. 4-(Iso-propylamino)diphenylamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.5X10-5 mm Hg(SRC), determined from a fragment constant method(4).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1.3X10+4(SRC), determined from an estimation method(2), indicates that the non-protonated form of 4-(iso-propylamino)diphenylamine is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.4X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). An estimated pKa of 5.1(8) indicates 4-(iso-propylamino)diphenylamine will exist only slightly in the cation form at pH values of 5 to 9(SRC). Cations generally adsorb to suspended solids and sediment more strongly thantheir neutral counterparts. According to a classification scheme(5), an estimated BCF of 67(SRC), from an estimated log Kow of 3.3(6), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate.|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-(iso-propylamino)diphenylamine, which has an estimated vapor pressure of 3.5X10-5 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 4-(iso-propylamino)diphenylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2 hours(SRC), calculated from its rate constant of 2.2X10-10 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). Particulate-phase 4-(iso-propylamino)diphenylamine may be removed from the air by wet and dry deposition(SRC).

The rate constant for the vapor-phase reaction of 4-(iso-propylamino)diphenylamine with photochemically-produced hydroxyl radicals has been estimated as 2.2X10-10 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of approximately 2 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1).

An estimated BCF of 67 was calculated for 4-(iso-propylamino)diphenylamine(SRC), using an estimated log Kow of 3.3(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 4-(iso-propylamino)diphenylamine can be estimated to be 1.3X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-(iso-propylamino)diphenylamine is expected to be immobile in soil(SRC). The estimated pKa of 4-(iso-propylamino)diphenylamine is 5.1(3), indicating that this compound will exist only slightly in the cation form and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts.

The Henry's Law constant for 4-(iso-propylamino)diphenylamine is estimated as 1.4X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-(iso-propylamino)diphenylamine is expected to be essentially nonvolatile from water and moist soil surfaces(2). 4-(Iso-propylamino)diphenylamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.5X10-5 mm Hg(SRC), determined from a fragment constant method(3).

OF 56 CASES OF ALLERGIC CONTACT DERMATITIS TO IPPD, 42 WERE CONSIDERED CAUSED BY OCCUPATIONAL CONTACTS: 17 CASES FOUND IN TIRE MFR, 9 IN CAR MECHANICS, 9 IN DRIVERS & 7 IN VARIOUS INDUSTRIAL BRANCHES.|TEN AUTOMOBILE TIRES MANUFACTURED BY 8 FIRMS INDUCED CONTACT SENSITIVITY IN 7 SUBJECTS ALLERGIC TO N-ISOPROPYL-N'-PHENYL-P-PHENYLENEDIAMINE ANTIOZONANT.|DERMATITIS WAS CAUSED BY N-ISOPROPYL-N-PHENYL-P-PHENYLENEDIAMINE (SANTOFLEX IP).|51 PATIENTS ALLERGIC TO IPPD WERE REVIEWED AND CLINICAL FEATURES AND PROGNOSIS DISCUSSED. IN 38 OF 51 PATIENTS, THE DERMATITIS WAS CONSIDERED OCCUPATIONAL, MAJORITY BEING EMPLOYED IN TRANSPORT INDUSTRY.|NIOSH (NOES Survey 1981-1983) has statistically estimated that 4130 workers (478 of these are female) are potentially exposed to 4-(iso-propylamino)diphenylamine in the US(1). Occupational exposure to 4-(iso-propylamino)diphenylamine may occur through inhalation and dermal contact with this compound at workplaces where 4-(iso-propylamino)diphenylamine is produced or used(SRC). The level of 4-(isopropylaminodiphenylamine in urine of vulcanization workers in Italy was noted to be higher in the end-shift than in the before-shift samples, with respective concns of 83.57 ug/l and 19.55 ug/l(2).

The level of 4-(iso-propylamino)diphenylamine in the urine of rubber vulcanization workers were noted to be higher in the end-shift than in the before-shift sample, respective concentrations being 83.57 and 19.55 ug/l(1).

Drug Information

4-(Isopropylamino)diphenylamine is approved for use within allergenic epicutaneous patch tests which are indicated for use as an aid in the diagnosis of allergic contact dermatitis (ACD) in persons 6 years of age and older.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

Urinary excretion of N-isopropyl-N'-phenyl-p-phenylenediamine (101724) (IPPD) was analyzed in 16 press operators exposed to this compound in a rubber curing workshop. A total of 22 urine samples were collected from each worker at the beginning and end of each work day over a 2 week period. ... Rapid excretion of IPPD occurred during the working day, with mean levels of IPPD in urine samples collected before and after shifts of 19.55 and 83.57 micrograms per liter (microg/l), respectively. A total of 4.4 percent of before and 28.7 percent of after shift samples showed no detectable IPPD. A second slow component of excretion was observed during the week, with mean concentrations in before shift samples rising from 10.8 to 25.8microg/l between the beginning and end of the week. In a skin absorption experiment, with one of the authors as subject, one hand was immersed in water containing IPPD for 90 minutes. IPPD levels in the urine were measured at 0, 3, 5, and 10.5 hours after exposure, and were found to be 0, 100, 350, and 570 ug/l, respectively. The excretion rate ceased 7 days after exposure. It was concluded that the kinetics of excretion of IPPD in workers exposed daily to this compound has two different components, an initially rapid one followed by a slow one, and that there are three different components of excretion kinetics after skin absorption with half times of 3, 7, and 24 hours.

SYMPTOMS: Symptoms of exposure to this compound may include contact dermatitis and occupational eczema. It may be irritating to the eyes, skin and respiratory system. ACUTE/CHRONIC HAZARDS: This compound may cause skin, eye and respiratory system irritation. When heated to decomposition this compound emits toxic fumes. (NTP, 1992)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)


Fresh air, rest.


Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .


First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

A study of the prevalence of HLA antigens in persons sensitized to N-isopropyl-N'-phenyl-p-phenylenediamine was conducted to determine if an association between N-isopropyl-N'-phenyl-p-phenylenediamine sensitivity and the gene product of theHLA complex exists. The cohort consisted of 32 Czech patients sensitized to N-isopropyl-N'-phenyl-p-phenylenediamine, as determined by patch tests. The comparisons consisted of 159 persons from the general Slovak population who were unrelated to the patients. Blood samples were collected and serological typing for HLA-A, HLA-B, HLA-C and the HLA-Dw antigens HLA-Dw1, HLA-Dw2, HLA-Dw3, HLA-Dw4, HLA-Dw5, HLA-Dw7, HLA-Dw8, hLA-Dw9, HLA-Dw10, and HLA-Dw11 was performed. The prevalence of HLA-Dw3 in thecohort was significantly elevated relative to the comparisons, 37.5 versus 8.7%.The increased HLA-Dw3 prevalence was associated with a relative risk of 6.3 of developing allergy to N-isopropyl-N'-phenyl-p-phenylenediamine. The prevalence of the HLA-Dw4 antigen was nonsignificantly elevated in the cohort. The prevalence of the other HLA antigens did not differ significantly between the two groups. The authors conclude that allergy to N-isopropyl-N'-phenyl-p-phenylenediamine has a polygenetic background and that genes of theHLA antigen complex are involved.|DERMATITIS WAS CAUSED BY N-ISOPROPYL-N-PHENYL-P-PHENYLENEDIAMINE (SANTOFLEX IP).|CONTACT ALLERGIC ECZEMA AT WRIST REGION IN 9 PROFESSIONALS & 36 HOUSEWIVES IN CONTACT WITH RUBBER PARTS OF ELECTRIC IRONS PRODUCED CHARACTERISTIC COLOR CAUSED BY PETECHIAE & HEMOSIDERIN PIGMENTATION. EXAM REVEALED CAPILLARITIS. IN 5 CASES PURPURA SPREAD TO WHOLE BODY.|51 PATIENTS ALLERGIC TO IPPD WERE REVIEWED & CLINICAL FEATURES & PROGNOSIS DISCUSSED. IN 38 OF 51 PATIENTS, THE DERMATITIS WAS CONSIDERED OCCUPATIONAL, MAJORITY BEING EMPLOYED IN TRANSPORT INDUSTRY.|For more Human Toxicity Excerpts (Complete) data for 4-(ISOPROPYLAMINO)DIPHENYLAMINE (10 total), please visit the HSDB record page.

IPPD

The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.

Redness.


Redness. Pain.

Antioxidant 4010NA Use and Manufacturing

Methods of Manufacturing

REACTION OF P-CHLORONITROBENZENE WITH ANILINE TO YIELD P-NITRODIPHENYLAMINE WHICH IS REDUCTIVELY ALKYLATED WITH ACETONE OVER A NICKEL/CHROMIUM CATALYST|Acetone + p-aminodiphenylamine (reductive amination)

Uses

A general-purpose excellent antioxidant for natural rubber, synthetic rubber and latex. It has excellent protection against ozone and flexion and cracking. It is also an excellent antioxidant for heat, oxygen, light, etc. and general aging. It is often used to manufacture products with high dynamic static stress, such as aircraft and automobile tires, bicycle tires, cables, hoses, tapes, rubber rollers and other industrial rubber products. This product is polluting and should not be used for light-colored rubber products. General-purpose excellent anti-aging agent for natural rubber, synthetic rubber and latex, excellent protection against ozone and flex fatigue aging


Antiozonant

Production

100,000 - 500,000 lb|(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS|(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

"Flexzone" /is/ trademark for a series of antiozonants, antioxidants and stabilizers based on para-phenylenediamine. /Flexzone/|"Santoflex" /is/ trademark for a series of rubber antioxidants and antiozonants. /Santoflex/

Plastic material and resin manufacturing|1,4-Benzenediamine, N1-(1-methylethyl)-N4-phenyl-: ACTIVE|ELIMINATION OF ANTIOXIDANT 4010NA FROM RUBBER IS RECOMMENDED FOR ARTICLES WHICH CONTACT SKIN. A CHANGE IN DESIGN OF ELECTRIC IRONS IS SUGGESTED.

MASS SPECTROMETRY WAS USED IN DETECTION OF AMINE-TYPE ANTIOXIDANTS IN RUBBER & LATEX PLANTS AMBIENT ATMOSPHERES.|A method based on solid phase extraction and reversed Phase Liquid Chromatography (LC) for quantization of 4-(iso-propylamino)diphenylamine in the urine of rubber vulcanization workers has been applied to biomonitoring in the nanomole range.

A RAPID METHOD BASED ON REVERSE-PHASE HIGH PRESSURE LIQUID CHROMATOGRAPHY IS DESCRIBED FOR SEPARATION & QUANTITATION OF IPPD IN URINE. APPLICATION OF TECHNIQUES FOR BIOMONITORING BODY FLUIDS AS AN INDICATOR OF EXPOSURE TO AROMATIC AMINES ARE DISCUSSED.

Computed Properties

Molecular Weight:226.32
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:226.146998583
Monoisotopic Mass:226.146998583
Topological Polar Surface Area:24.1
Heavy Atom Count:17
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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