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2′-Aminoacetophenone

2′-Aminoacetophenone structure

CAS No:
551-93-9
Formula:
C8H9NO
Chemical Name:
2′-Aminoacetophenone
Synonyms:
Ethanone,1-(2-aminophenyl)-;Acetophenone,2′-amino-;Acetophenone,o-amino-;1-(2-Aminophenyl)ethanone;o-Aminoacetophenone;2′-Aminoacetophenone;o-Aminoacetylbenzene;2-Acetylaniline;o-Aminophenyl methyl ketone;1-Acetyl-2-aminobenzene;o-Acetylaniline;2-Aminophenyl methyl ketone;2-Acetylphenylamine;Methyl 2-aminophenyl ketone;2-(Methylcarbonyl)benzenamine;NSC 8820;1-(2-Aminophenyl)ethan-1-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

2'-Aminoacetophenone is an aromatic compound containing a ketone substituted by one alkyl group, and a phenyl group. 2'-Aminoacetophenone can be used as a breath biomarker for the detection of Ps. Aeruginosa infections in the cystic fibrosis lung[1].

Liquid

O-aminoacetophenone is an aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group. It has a role as a bacterial metabolite. It is a substituted aniline and a member of acetophenones.

2′-Aminoacetophenone Basic Attributes

Molecular Weight：

135.16

Exact Mass：

135.16

BRN：

386122

EC Number：

209-002-8

UNII：

69Y77091BC

NSC Number：

8820

DSSTox ID：

DTXSID4052213

Color/Form：

YELLOW OILY LIQUID|YELLOW CRYSTALS

HScode：

2922399090

Characteristics

PSA：

43.1

XLogP3：

1.6

Appearance：

Yellow to yellow-brown Liquid

Density：

1.1±0.1 g/cm3

Melting Point：

20 °C

Boiling Point：

85-90 °C

Flash Point：

>230 °F

Refractive Index：

1.571

Water Solubility：

SOL IN ETHER

Storage Conditions：

0-6°C

Experimental Properties：

UV: 6-168 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /3-Aminoacetophenone/

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25-37/39

RTECS Number：

AM5775000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Disposal Methods：

The following wastewater treatment technologies have been investigated for acetophenone: concentration process: activated carbon. /Acetophenone/|The following wastewater treatment technologies have been investigated for acetophenone: concentration process: resin adsorption. /Acetophenone/

GHS Classification：

|Warning|H302 (30.91%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 134 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

YIELDS 2-CARBOXAMIDO-4-METHYLQUINAZOLINE, 2-HYDROXYMETHYL-4-METHYLQUINAZOLINE, & 4-METHYLQUINAZOLINE IN PSEUDOMONAS. /FROM TABLE/|2-AMINO-3-HYDROXYACETOPHENONE WAS ISOLATED FROM URINE OF RATS GIVEN 15 MG 2-AMINOACETOPHENONE/KG/DAY FOR 4 DAYS & FROM THE SUPERNATANT OF CULTURES OF RAT LIVER MICROSOMES INCUBATED WITH 2-AMINOACETOPHENONE FOR 2 HR AT 37 °C.|IN CELL-FREE EXTRACTS OF BACILLUS SUBTILIS, 2'-AMINOACETOPHENONE WAS UTILIZED AS RAPIDLY AS AMINOACETONE.

MeSH Entry Terms：

2-aminoacetophenone

2′-Aminoacetophenone Use and Manufacturing

Methods of Manufacturing

PREPN OF O- ISOMERS

Uses

Used as intermediate of oil soluble coupler

Manufacturing Info：

Ethanone, 1-(2-aminophenyl)-: ACTIVE

Analytic Methods：

O-AMINOACETOPHENONE WAS ISOLATED FROM NEUTRAL OR ALKALINE LIQUID SWINE MANURE BY STEAM DISTILLATION & COLUMN CHROMATOGRAPHY & IDENTIFIED BY GAS CHROMATOGRAPHY & MASS SPECTROMETRY.

Computed Properties

Molecular Weight:135.16
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:135.068413911
Monoisotopic Mass:135.068413911
Topological Polar Surface Area:43.1
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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