N-(4-amino-2-methoxyphenyl)acetamide

• ChemBase ID: 45356
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: N(c1c(cc(N)cc1)OC)C(=O)C
• Canonical SMILES: COc1cc(N)ccc1NC(=O)C
• InChI: InChI=1S/C9H12N2O2/c1-6(12)11-8-4-3-7(10)5-9(8)13-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: ZMVYKWOITGSLDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(4-amino-2-methoxyphenyl)acetamide
• Synonyms: N-(4-amino-2-methoxyphenyl)acetamide hydrochloride; N-(4-Amino-2-methoxyphenyl)acetamide

Database IDs

• CAS Number: 5329-15-7
• MDL Number: MFCD02657492; MFCD09836252
• PubChem SID: 162050119
• PubChem CID: 219956

CALCULATED PROPERTIES

• Acid pKa: 13.527675
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21789843
• LogD (pH = 7.4): 0.22427672
• Log P: 0.22435896
• Molar Refractivity: 52.0846 cm^3
• Polarizability: 18.875662 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): -0.565

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%