N-(naphthalen-2-yl)naphthalen-1-amine

• ChemBase ID: 796615
• Molecular Formular: C20H15N
• Molecular Mass: 269.3398
• Monoisotopic Mass: 269.12044949
• SMILES: c1cc2c(cc1)cccc2Nc1ccc2c(cccc2)c1
• Canonical SMILES: c1ccc2c(c1)cc(cc2)Nc1cccc2c1cccc2
• InChI: InChI=1S/C20H15N/c1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20/h1-14,21H
• InChIKey: UNJZLNFHHINVOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(naphthalen-2-yl)naphthalen-1-amine
• IUPAC Traditional name: N-(naphthalen-2-yl)naphthalen-1-amine
• Synonyms: N-(Naphthalen-2-yl)naphthalen-1-aMine

Database IDs

• CAS Number: 4669-06-1

CALCULATED PROPERTIES

• Acid pKa: 19.501364
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.392123
• LogD (pH = 7.4): 5.392125
• Log P: 5.392125
• Molar Refractivity: 87.4446 cm^3
• Polarizability: 36.43444 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%