2-(4-Aminophenyl)acetamide

HCID 238034

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Basic information

CAS: 6633-76-7
Standard SMILES: NC(=O)Cc1ccc(N)cc1
InChIKey: PBFBGLBYZHLKHL-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931295

Names & identifiers

Preferred name: 2-(4-Aminophenyl)acetamide
IUPAC: 2-(4-aminophenyl)acetamide
English name: Benzeneacetamide, 4-amino- (9CI)
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

2-(4-aminophenyl)acetamideDTXSID50285527RefChem:456707DTXCID30236678809-825-86633-76-7Benzeneacetamide, 4-amino- (9CI)4-AMino-benzeneacetaMideBenzeneacetamide, 4-amino-MFCD067963704-aminophenylacetamide(4-aminophenyl)acetamide

Show more names

NSC421622-(4-aminophenyl)-acetamideSCHEMBL687483SCHEMBL4605217SCHEMBL6686356PBFBGLBYZHLKHL-UHFFFAOYSA-NGAA63376NSC-42162

Database identifiers

CAS: 6633-76-7
PubChem CID: 238034
DTXSID: DTXSID50285527
EC Number: 809-825-8

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Physicochemical properties

Melting point: 161 · 161-162 °C
Boiling point: 399.2 · 399.2±25.0 °C(Predicted)
Density: 1.198 · 1.198±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 16.42 · 16.42±0.40(Predicted)
Appearance: Off-white to light yellow Solid
LogP: -0.83 · -0.830 (est)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

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 39 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 CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (97.4%)

Safety data

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