2-Acetylamino-4-aminotoluene

HCID 79492

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Basic information

CAS: 5434-30-0
Standard SMILES: CC(=O)Nc1cc(N)ccc1C
InChIKey: UAZGSMMESOKKQZ-UHFFFAOYSA-N
Molecular formula: C9H12N2O
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.09496301

Names & identifiers

Preferred name: 2-Acetylamino-4-aminotoluene
IUPAC: N-(5-amino-2-methylphenyl)acetamide
English name: N1-(5-Amino-2-methylphenyl)acetamide
Molecular formula: C9H12N2O
Molecular weight: 164.2

Names & synonyms

N-(5-amino-2-methylphenyl)acetamide5434-30-02-Acetylamino-4-aminotolueneAcetamide, N-(5-amino-2-methylphenyl)-2-Acetylamino-p-toluidineWXF5Z5A955EINECS 226-599-0NSC 15762NSC-15762UNII-WXF5Z5A955DTXSID8063882RefChem:84990

Show more names

5-Amino-2-MethylacetanilideCompound Fr139653-Acetylamino-p-toluidineN-(5-Amino-2-methylphenyl)5-AMINO-2-METHYLACETANILINE2-METHYL-5-AMINOACETANILINE3'-Amino-6'-methylacetanilide

DTXCID0041690226-599-05'-Amino-2'-methylacetanilideN1-(5-AMINO-2-METHYLPHENYL)ACETAMIDEMFCD00047859N-(3-amino-6-methylphenyl)acetamideNSC157623-Acetamido-4-methylaniline

Database identifiers

CAS: 5434-30-0
PubChem CID: 79492
DTXSID: DTXSID8063882
UNII: WXF5Z5A955
EC Number: 226-599-0
Nikkaji: J153.405J

Properties

Computed structural properties

XLogP: 0.5
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

Melting point: 141 °C · 141 °C
Boiling point: 362.1 · 362.1±30.0 °C(Predicted)
Density: 1.163 · 1.163±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
solubility: soluble in Methanol
form: powder to crystal
pka: 14.83 · 14.83±0.70(Predicted)
color: White to Light yellow
FDA UNII: 5 Z5A955 · WXF5Z5A955
EPA Substance Registry System: Acetamide, N-(5-amino-2-methylphenyl)- (5434-30-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2924190090 · 2924190090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2924190090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313