N-(5-amino-2-methoxyphenyl)acetamide hydrochloride

• ChemBase ID: 254400
• Molecular Formular: C9H13ClN2O2
• Molecular Mass: 216.66472
• Monoisotopic Mass: 216.06655535
• SMILES: c1(NC(=O)C)cc(N)ccc1OC.Cl
• Canonical SMILES: COc1ccc(cc1NC(=O)C)N.Cl
• InChI: InChI=1S/C9H12N2O2.ClH/c1-6(12)11-8-5-7(10)3-4-9(8)13-2;/h3-5H,10H2,1-2H3,(H,11,12);1H
• InChIKey: SRCVEDBOHDSKPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)acetamide hydrochloride
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)acetamide hydrochloride
• Synonyms: N-(5-amino-2-methoxyphenyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD09834108
• PubChem SID: 164310310
• PubChem CID: 17529506

CALCULATED PROPERTIES

• Acid pKa: 12.529101
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1625175
• LogD (pH = 7.4): 0.22351928
• Log P: 0.22435896
• Molar Refractivity: 52.0846 cm^3
• Polarizability: 18.875462 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238 - 240°C
• Hydrophobicity(logP): -0.52

Product Information

• Purity: 95%
• Salt Data: HCl