2-amino-N-(2-methoxy-5-methylphenyl)acetamide hydrochloride

• ChemBase ID: 250974
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: c1(NC(=O)CN)c(ccc(c1)C)OC.Cl
• Canonical SMILES: NCC(=O)Nc1cc(C)ccc1OC.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11;/h3-5H,6,11H2,1-2H3,(H,12,13);1H
• InChIKey: YUMUZQZRMSHYAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09054650
• PubChem SID: 164306884
• PubChem CID: 17435100

CALCULATED PROPERTIES

• Acid pKa: 12.027565
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7304301
• LogD (pH = 7.4): -0.03611995
• Log P: 0.64257646
• Molar Refractivity: 55.7851 cm^3
• Polarizability: 21.017189 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 150°C
• Hydrophobicity(logP): 0.234

Product Information

• Purity: 95%
• Salt Data: HCl