5-amino-2-(dimethylamino)benzamide

• ChemBase ID: 120863
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: c1(c(ccc(c1)N)N(C)C)C(=O)N
• Canonical SMILES: Nc1ccc(c(c1)C(=O)N)N(C)C
• InChI: InChI=1S/C9H13N3O/c1-12(2)8-4-3-6(10)5-7(8)9(11)13/h3-5H,10H2,1-2H3,(H2,11,13)
• InChIKey: VSDBOHMWRRGWRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-(dimethylamino)benzamide
• IUPAC Traditional name: 5-amino-2-(dimethylamino)benzamide
• Synonyms: 5-amino-2-(dimethylamino)benzamide

Database IDs

• CAS Number: 1226805-88-4
• MDL Number: MFCD12790911
• PubChem SID: 162215216
• PubChem CID: 50851055

CALCULATED PROPERTIES

• Acid pKa: 14.960331
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 5.651734E-4
• LogD (pH = 7.4): 0.10155032
• Log P: 0.103004016
• Molar Refractivity: 54.2654 cm^3
• Polarizability: 19.126427 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true