naphthalene-2,3-dicarboxamide

• ChemBase ID: 158555
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: c1ccc2cc(c(cc2c1)C(=O)N)C(=O)N
• Canonical SMILES: NC(=O)c1cc2ccccc2cc1C(=O)N
• InChI: InChI=1S/C12H10N2O2/c13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)12(14)16/h1-6H,(H2,13,15)(H2,14,16)
• InChIKey: OABIEOPOGPOCJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2,3-dicarboxamide
• IUPAC Traditional name: naphthalene-2,3-dicarboxamide
• Synonyms: 2,3-Naphthalenedicarboxamide

Database IDs

• CAS Number: 106733-12-4
• MDL Number: MFCD00134502
• PubChem SID: 24863667; 162252691
• PubChem CID: 5102564

CALCULATED PROPERTIES

• Acid pKa: 13.38445
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.66400313
• LogD (pH = 7.4): 0.66400355
• Log P: 0.66400313
• Molar Refractivity: 60.665 cm^3
• Polarizability: 23.495895 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280-282 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95%
• Linear Formula: C10H6(CONH2)2