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1,3-Propanediamine

1,3-Propanediamine structure

CAS No:
109-76-2
Formula:
C3H10N2
Chemical Name:
1,3-Propanediamine
Synonyms:
1,3-Propanediamine;1,3-Diaminopropane;1,3-Propylenediamine;Trimethylenediamine;1,3-Trimethylenediamine;DAP;3-Aminopropylamine;1,3-Diamino-n-propane;α,ω-Propanediamine;NSC 8154;54018-94-9;1628783-17-4
Categories:
Organic Chemistry > Amides

Description

colourless liquidChEBI: An alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3.Water-white mobile liquid with an odor of amine.

1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)|Liquid

1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)|Trimethylenediamine is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolite. It is a conjugate base of a trimethylenediaminium.

1,3-Propanediamine Basic Attributes

Molecular Weight：

74.12

Exact Mass：

74.12

BRN：

605277

EC Number：

203-702-7

UNII：

CB3ISL56KG

NSC Number：

8154

UN Number：

2734

DSSTox ID：

DTXSID1021906

HScode：

29212900

Characteristics

PSA：

XLogP3：

-1.43

Appearance：

Clear Liquid

Density：

0.8834 g/cm³ @ Temp: 20 °C

Melting Point：

54-55 °C

Boiling Point：

139.8 °C

Flash Point：

120 °F

Refractive Index：

n 20/D 1.458(lit.)

Water Solubility：

H2O: soluble

Storage Conditions：

Flammables area

Vapor Pressure：

<8 mm Hg ( 20 °C)

Vapor Density：

2.5 (NTP, 1992) (Relative to Air)

Toxicity：

Oral-Rat LD50: 350 mg/kg; Abdominal cavity-mouse LD50: 296 mg/kg

Flammability characteristics：

Combustible in case of fire, high temperature and strong oxidant; decomposes toxic nitrogen oxide gas upon heating

Explosive limit：

2.8-15.2%(V)

Air and Water Reactions：

Highly flammable. Water soluble.

Reactive Group：

Amines, Phosphines, and Pyridines

Reactivity Alerts：

Highly Flammable

Reactivity Profile：

1,3-DIAMINOPROPANE is heat sensitive. This compound may react with oxidizing agents. (NTP, 1992)

Autoignition Temperature：

680 °F (NTP, 1992)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2922 8/PG 2

wgk germany：

hazard class code：

10-22-24-35

safety instructions：

26-36/37/39-45-25-16

RTECS Number：

TX6825000

Marks：

T,C

Storage features：

Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, stored separately from oxidants and acids

Stability/Shelf Life：

Stable. Hygroscopic. Flammable - readily forms explosive mixtures with air. Incompatible with acid anhydrides, acid chlorides, acids, strong oxidizing agents.

Precautionary statement(s)：

P280-P302 + P350-P305 + P351 + P338-P310

Hazard Statements：

H226-H302-H310-H314

Fire Hazards：

This compound is a flammable liquid. (NTP, 1992)

GHS Classification：

|Danger|H226 (99.58%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P272, P280, P285, P301+P312, P301+P330+P331, P302+P350, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P322, P330, P333+P313, P342+P311, P361, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 240 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Fire Fighting：

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

Isolation and Evacuation：

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. 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)

Nonfire Spill Response：

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment：

MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. RECOMMENDED GLOVE MATERIALS: It is recommended that two different glove types be used for best protection. However, if this chemical makes direct contact with your gloves, or if a tear, puncture or hole develops, remove them at once. SUGGESTED GLOVES: Butyl rubber, Neoprene to 230 minutes (NTP, 1992)

Toxicity

Toxicity class：

highly toxic

Drug Information

Health Hazards：

ACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992)

First Aid：

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. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. 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. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. 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. IMMEDIATELY transport the victim to a hospital. 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. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)

MeSH Entry Terms：

1,3-diaminepropane

1,3-Propanediamine Use and Manufacturing

Methods of Manufacturing

Mix 1 part of dibromopropane with 8-9 parts of saturated ammonia and ethanol solution at 0°C, and leave for 3-4 days. Evaporate to dryness, add lye to the remainder and distill. The distillate was neutralized with hydrochloric acid. It is evaporated and cooled, and the concentrated solution is dried to crystallize the hydrochloride salt. The hydrochloride is decomposed with alkali, and 1, 3-propanediamine is distilled out.

Uses

Solvent. purifier. Organic synthesis intermediate, starting material prepared by KAPA, strong base for molecular terminal isomerization.

Intermediates

Manufacturing Info：

Plastic material and resin manufacturing|1,3-Propanediamine: ACTIVE

Computed Properties

Molecular Weight:74.13
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:74.084398327
Monoisotopic Mass:74.084398327
Topological Polar Surface Area:52
Heavy Atom Count:5
Complexity:12.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Urea

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