2-amino-N,6-dimethylbenzamide

• ChemBase ID: 268363
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(C(=O)NC)c(N)cccc1C
• Canonical SMILES: CNC(=O)c1c(C)cccc1N
• InChI: InChI=1S/C9H12N2O/c1-6-4-3-5-7(10)8(6)9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: IJUQHZGNAANPPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,6-dimethylbenzamide
• IUPAC Traditional name: 2-amino-N,6-dimethylbenzamide
• Synonyms: 2-amino-N,6-dimethylbenzamide

Database IDs

• MDL Number: MFCD09731040
• PubChem SID: 164324273
• PubChem CID: 16784308

CALCULATED PROPERTIES

• Acid pKa: 15.655215
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3803244
• LogD (pH = 7.4): 1.3820357
• Log P: 1.3820577
• Molar Refractivity: 49.7747 cm^3
• Polarizability: 17.90636 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 0.713

Product Information

• Purity: 95%