4-methyl-N,N-diphenylaniline

• ChemBase ID: 798640
• Molecular Formular: C19H17N
• Molecular Mass: 259.34498
• Monoisotopic Mass: 259.13609955
• SMILES: c1c(N(c2ccccc2)c2ccccc2)ccc(c1)C
• Canonical SMILES: Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17N/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
• InChIKey: IULUNTXBHHKFFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N,N-diphenylaniline
• IUPAC Traditional name: 4-methyl-N,N-diphenylaniline
• Synonyms: 4-methyltriphenylamine

Database IDs

• CAS Number: 4316-53-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.8082275
• LogD (pH = 7.4): 5.8082275
• Log P: 5.8082275
• Molar Refractivity: 84.2597 cm^3
• Polarizability: 32.536583 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%