N-benzyl-N-phenylaniline

• ChemBase ID: 287083
• Molecular Formular: C19H17N
• Molecular Mass: 259.34498
• Monoisotopic Mass: 259.13609955
• SMILES: N(c1ccccc1)(Cc1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)CN(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17N/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
• InChIKey: FKJARBPQBIATJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-phenylaniline
• IUPAC Traditional name: N-benzyl-N-phenylaniline
• Synonyms: N-Benzyl-N-phenylaniline

Database IDs

• CAS Number: 606-87-1
• MDL Number: MFCD00092745
• PubChem SID: 180672614
• PubChem CID: 69080

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3613186
• LogD (pH = 7.4): 5.361321
• Log P: 5.361321
• Molar Refractivity: 84.0535 cm^3
• Polarizability: 32.62862 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%