2-(2-aminophenyl)acetamide

• ChemBase ID: 256204
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: C(=O)(Cc1c(N)cccc1)N
• Canonical SMILES: NC(=O)Cc1ccccc1N
• InChI: InChI=1S/C8H10N2O/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
• InChIKey: TXMURLRUEUBDHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 4103-60-0
• MDL Number: MFCD06659776
• PubChem SID: 164312114
• PubChem CID: 278286

CALCULATED PROPERTIES

• Acid pKa: 16.564293
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.031133432
• LogD (pH = 7.4): -0.024953827
• Log P: -0.024874462
• Molar Refractivity: 43.8882 cm^3
• Polarizability: 16.35576 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.823

Product Information

• Purity: 95%; 98%