2-amino-5-(dimethylamino)benzamide

• ChemBase ID: 245302
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: c1(cc(N(C)C)ccc1N)C(=O)N
• Canonical SMILES: CN(c1ccc(c(c1)C(=O)N)N)C
• InChI: InChI=1S/C9H13N3O/c1-12(2)6-3-4-8(10)7(5-6)9(11)13/h3-5H,10H2,1-2H3,(H2,11,13)
• InChIKey: BKIBPJMQGQSAGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11848960
• PubChem SID: 164301212
• PubChem CID: 12715797

CALCULATED PROPERTIES

• Acid pKa: 15.0012865
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4367581
• LogD (pH = 7.4): 0.7471793
• Log P: 0.753004
• Molar Refractivity: 54.2654 cm^3
• Polarizability: 19.126362 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.572

Product Information

• Purity: 95%