2,3-diaminobenzamide

• ChemBase ID: 287068
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: O=C(N)c1cccc(N)c1N
• Canonical SMILES: NC(=O)c1cccc(c1N)N
• InChI: InChI=1S/C7H9N3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H2,10,11)
• InChIKey: NAWJZCSEYBQUGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diaminobenzamide
• IUPAC Traditional name: 2,3-diaminobenzamide
• Synonyms: 2,3-Diaminobenzamide

Database IDs

• CAS Number: 711007-44-2
• MDL Number: MFCD09029906
• PubChem SID: 180672599
• PubChem CID: 10487029

CALCULATED PROPERTIES

• Acid pKa: 15.095441
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.18682472
• LogD (pH = 7.4): -0.1840019
• Log P: -0.1839658
• Molar Refractivity: 44.5372 cm^3
• Polarizability: 15.45755 Å^3
• Polar Surface Area: 95.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%