naphthalene-2-carboxamide

• ChemBase ID: 302082
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: c1ccc2cc(ccc2c1)C(=O)N
• Canonical SMILES: NC(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
• InChIKey: JVXXKQIRGQDWOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2-carboxamide
• IUPAC Traditional name: 2naphthylamide
• Synonyms: Naphthalene-2-carboxamide; 萘-2-甲酰胺

Database IDs

• CAS Number: 2243-82-5
• EC Number: 218-820-4
• MDL Number: MFCD00016812
• Beilstein Number: 1101108

CALCULATED PROPERTIES

• Acid pKa: 14.586173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8133624
• LogD (pH = 7.4): 1.8133628
• Log P: 1.8133628
• Molar Refractivity: 51.5866 cm^3
• Polarizability: 20.71515 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193-197°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%