2-amino-N-(2-methylphenyl)acetamide

• ChemBase ID: 311148
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: N(c1c(C)cccc1)C(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccccc1C
• InChI: InChI=1S/C9H12N2O/c1-7-4-2-3-5-8(7)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)
• InChIKey: FPOILVHVCSERPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-methylphenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(2-methylphenyl)acetamide
• Synonyms: N~1~-(2-methylphenyl)glycinamide

Database IDs

• CAS Number: 145133-90-0
• MDL Number: MFCD01605694

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5728076
• LogD (pH = 7.4): 0.12160044
• Log P: 0.8002477
• Molar Refractivity: 49.3219 cm^3
• Polarizability: 18.498064 Å^3
• Polar Surface Area: 55.12 Å^2