2-amino-N,3-dimethylbenzamide

• ChemBase ID: 308865
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(c(c(ccc1)C)N)C(=O)NC
• Canonical SMILES: CNC(=O)c1cccc(c1N)C
• InChI: InChI=1S/C9H12N2O/c1-6-4-3-5-7(8(6)10)9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: FBOWFVWOCBTBPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,3-dimethylbenzamide
• IUPAC Traditional name: 2-amino-N,3-dimethylbenzamide
• Synonyms: 2-amino-N,3-dimethylbenzamide

Database IDs

• CAS Number: 870997-57-2
• MDL Number: MFCD09042975

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3813452
• LogD (pH = 7.4): 1.3820486
• Log P: 1.3820577
• Molar Refractivity: 49.7747 cm^3
• Polarizability: 17.905499 Å^3
• Polar Surface Area: 55.12 Å^2