(NZ)-N-(phenylmethylidene)naphthalen-1-amine

• ChemBase ID: 100984
• Molecular Formular: C17H13N
• Molecular Mass: 231.29182
• Monoisotopic Mass: 231.10479942
• SMILES: N(=C\c1ccccc1)\c1c2c(ccc1)cccc2
• Canonical SMILES: c1ccc(cc1)/C=N\c1cccc2c1cccc2
• InChI: InChI=1S/C17H13N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13-
• InChIKey: NQPYSYDZNCHIQY-AQTBWJFISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (NZ)-N-(phenylmethylidene)naphthalen-1-amine
• IUPAC Traditional name: (NZ)-N-(phenylmethylidene)naphthalen-1-amine
• Synonyms: N-(1-naphthyl)-N-(phenylmethylene)amine

Database IDs

• CAS Number: 890-51-7
• MDL Number: MFCD02235774
• PubChem SID: 162086790
• PubChem CID: 1201463

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8368015
• LogD (pH = 7.4): 4.8369813
• Log P: 4.8369837
• Molar Refractivity: 77.8378 cm^3
• Polarizability: 30.185335 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%