2-amino-N,5-dimethylbenzamide

• ChemBase ID: 278496
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(C(=O)NC)c(ccc(c1)C)N
• Canonical SMILES: CNC(=O)c1cc(C)ccc1N
• InChI: InChI=1S/C9H12N2O/c1-6-3-4-8(10)7(5-6)9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: ORLUQBZQYSXPGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,5-dimethylbenzamide
• IUPAC Traditional name: 2-amino-N,5-dimethylbenzamide
• Synonyms: 2-amino-N,5-dimethylbenzamide

Database IDs

• MDL Number: MFCD16783445
• PubChem SID: 164334406
• PubChem CID: 18719706

CALCULATED PROPERTIES

• Acid pKa: 15.376796
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.379805
• LogD (pH = 7.4): 1.3820292
• Log P: 1.3820577
• Molar Refractivity: 49.7747 cm^3
• Polarizability: 17.904634 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.053

Product Information

• Purity: 95%