2-(4-aminophenyl)acetamide

• ChemBase ID: 256393
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(Cc1ccc(N)cc1)N
• Canonical SMILES: NC(=O)Cc1ccc(cc1)N
• InChI: InChI=1S/C8H10N2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
• InChIKey: PBFBGLBYZHLKHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)acetamide
• IUPAC Traditional name: 2-(4-aminophenyl)acetamide
• Synonyms: 2-(4-aminophenyl)acetamide

Database IDs

• CAS Number: 6633-76-7
• MDL Number: MFCD06796370
• PubChem SID: 164312303
• PubChem CID: 238034

CALCULATED PROPERTIES

• Acid pKa: 16.560875
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.054694813
• LogD (pH = 7.4): -0.025263049
• Log P: -0.024874462
• Molar Refractivity: 43.8882 cm^3
• Polarizability: 16.355534 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): -0.773

Product Information

• Purity: 95%