N-(3-amino-4-methylphenyl)acetamide

HCID 22865

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Basic information

CAS: 6375-16-2
Standard SMILES: CC(=O)Nc1ccc(C)c(N)c1
InChIKey: RBQWGHBZCHFUQU-UHFFFAOYSA-N
Molecular formula: C9H12N2O
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.094963

Overview

metabolite of 2,4-toluenediamine in rats

Names & identifiers

Preferred name: N-(3-amino-4-methylphenyl)acetamide
IUPAC: N-(3-amino-4-methylphenyl)acetamide
English name: N-(3-amino-4-methylphenyl)acetamide
Molecular formula: C9H12N2O
Molecular weight: 164.2

Names & synonyms

N-(3-Amino-4-methylphenyl)acetamide6375-16-24-Acetylamino-2-aminotoluene2-Amino-4-acetylaminotolueneAcetamide, N-(3-amino-4-methylphenyl)-3'-Amino-4'-methylacetanilideHTV7P28A6R4-acetoxyamino-2-aminotolueneDTXSID1064293N(4)-acetyl-2,4-toluenediamineRefChem:97633N(4)-Ac-TDA

Show more names

5-Acetylamino-o-toluidine3'-Amino-p-acetotoluidideN-(3-amino-4-methylphenyl)acetamide(SALTDATA: FREE)

DTXCID8044098228-933-0CCRIS 2681MFCD00025202UNII-HTV7P28A6REINECS 228-933-0BRN 2804114ACETANILIDE, 3'-AMINO-4'-METHYL-

Database identifiers

CAS: 6375-16-2
PubChem CID: 22865
DTXSID: DTXSID1064293
UNII: HTV7P28A6R
EC Number: 228-933-0
Nikkaji: J8.396H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

form: solid
InChI: 1S/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey: RBQWGHBZCHFUQU-UHFFFAOYSA-N
SMILES: O=C(C)NC1=CC=C(C)C(N)=C1
FDA UNII: 7 P28A6R · HTV7P28A6R
EPA Substance Registry System: Acetamide, N-(3-amino-4-methylphenyl)- (6375-16-2)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
RTECS: 8580000 · AD8580000
TSCA: TSCA listed
HazardClass: IRRITANT
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.