N,4-diphenylaniline

• ChemBase ID: 289884
• Molecular Formular: C18H15N
• Molecular Mass: 245.3184
• Monoisotopic Mass: 245.12044949
• SMILES: c1(c2ccccc2)ccc(Nc2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)Nc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C18H15N/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)19-17-9-5-2-6-10-17/h1-14,19H
• InChIKey: YGNUPJXMDOFFDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-diphenylaniline
• IUPAC Traditional name: N,4-diphenylaniline
• Synonyms: N-Phenyl-[1,1'-biphenyl]-4-amine

Database IDs

• CAS Number: 32228-99-2
• PubChem SID: 180675415
• PubChem CID: 13087229

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.0603914
• LogD (pH = 7.4): 5.0603967
• Log P: 5.060397
• Molar Refractivity: 79.6804 cm^3
• Polarizability: 32.240295 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%