2-amino-N-(2,3-dimethylphenyl)acetamide

• ChemBase ID: 234163
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1(NC(=O)CN)c(c(ccc1)C)C
• Canonical SMILES: Cc1c(NC(=O)CN)cccc1C
• InChI: InChI=1S/C10H14N2O/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)
• InChIKey: QBIGOPCNHBHYRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2,3-dimethylphenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(2,3-dimethylphenyl)acetamide
• Synonyms: N~1~-(2,3-dimethylphenyl)glycinamide; 2-amino-N-(2,3-dimethylphenyl)acetamide

Database IDs

• CAS Number: 885460-32-2
• MDL Number: MFCD05262738
• PubChem SID: 164290073
• PubChem CID: 2106602

CALCULATED PROPERTIES

• Molar Refractivity: 54.3631 cm^3
• Polarizability: 20.263248 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.665722
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0593861
• LogD (pH = 7.4): 0.6350219
• Log P: 1.3136691

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.548

Product Information

• Purity: 95%