N-[1-(3-aminophenyl)ethyl]acetamide

• ChemBase ID: 306413
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N(C(=O)C)C(c1cc(N)ccc1)C
• Canonical SMILES: CC(=O)NC(c1cccc(c1)N)C
• InChI: InChI=1S/C10H14N2O/c1-7(12-8(2)13)9-4-3-5-10(11)6-9/h3-7H,11H2,1-2H3,(H,12,13)
• InChIKey: NRBYWMZNPZYXKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-aminophenyl)ethyl]acetamide
• IUPAC Traditional name: N-[1-(3-aminophenyl)ethyl]acetamide
• Synonyms: N-[1-(3-aminophenyl)ethyl]acetamide

Database IDs

• CAS Number: 103394-66-7
• MDL Number: MFCD07658376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.48079926
• LogD (pH = 7.4): 0.50518984
• Log P: 0.5055099
• Molar Refractivity: 53.0944 cm^3
• Polarizability: 20.037561 Å^3
• Polar Surface Area: 55.12 Å^2