N-(4-Aminophenyl)propanamide

HCID 314342

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Basic information

CAS: 59690-89-0
Standard SMILES: CCC(=O)Nc1ccc(N)cc1
InChIKey: MOUFEEIQCXUUMY-UHFFFAOYSA-N
Molecular formula: C9H12N2O
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.094963

Names & identifiers

Preferred name: N-(4-Aminophenyl)propanamide
IUPAC: N-(4-aminophenyl)propanamide
English name: N-(4-Aminophenyl)propanamide
Molecular formula: C9H12N2O
Molecular weight: 164.2

Names & synonyms

N-(4-aminophenyl)propanamide59690-89-0DTXSID50310782RefChem:162084DTXCID10261908657-350-8N-(4-Aminophenyl)propionamidePropanamide, N-(4-aminophenyl)-MFCD02063079p-Amino propionanilideNSC2316664-propionylaminoaniline

Show more names

AKOS BB-8167ASISCHEM T31165C-aMino acid anilinep-AminopropionanilineLABOTEST-BB LT005119594-AMINO PROPIONANILIDE4-Aminopropionylanilidepara-Aminopropionylanilide

4-propionylamino-anilineOprea1_494937Oprea1_625873SCHEMBL2643316SCHEMBL2643318SCHEMBL27454530MOUFEEIQCXUUMY-UHFFFAOYSA-NBBL000214

Database identifiers

CAS: 59690-89-0
PubChem CID: 314342
DTXSID: DTXSID50310782
EC Number: 657-350-8

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 282.7 · 282.7±13.0 °C(Predicted)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
pka: 14.75 · 14.75±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H317
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501