N-(4-aminophenyl)acetamide hydrochloride

• ChemBase ID: 85651
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: N(c1ccc(cc1)N)C(=O)C.Cl
• Canonical SMILES: CC(=O)Nc1ccc(cc1)N.Cl
• InChI: InChI=1S/C8H10N2O.ClH/c1-6(11)10-8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);1H
• InChIKey: JWCADJJPGAITCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)acetamide hydrochloride
• IUPAC Traditional name: P-aminoacetanilide hydrochloride
• Synonyms: p-AMINOACETANILIDE HYDROCHLORIDE; N1-(4-aminophenyl)acetamide hydrochloride; 4-Acetamidoaniline hydrochloride; N-Acetyl-1,4-phenylenediamine hydrochloride; 4'-Aminoacetanilide hydrochloride; 4'-氨基乙酰苯胺盐酸盐

Database IDs

• CAS Number: 43036-07-3
• EC Number: 256-052-1
• MDL Number: MFCD00050695
• Beilstein Number: 3703679
• PubChem SID: 162072767
• PubChem CID: 170722

CALCULATED PROPERTIES

• Acid pKa: 16.15776
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.36735225
• LogD (pH = 7.4): 0.3818423
• Log P: 0.38203022
• Molar Refractivity: 45.6214 cm^3
• Polarizability: 16.345066 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 309-312°C

Safety Information

• RTECS: AD8225000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 98%

DETAILS

MP Biomedicals - 05201430

MP Biomedicals Rare Chemical collection