3,5-dimethyl-N,N-diphenylaniline

• ChemBase ID: 798642
• Molecular Formular: C20H19N
• Molecular Mass: 273.37156
• Monoisotopic Mass: 273.15174961
• SMILES: c1c(N(c2ccccc2)c2ccccc2)cc(cc1C)C
• Canonical SMILES: Cc1cc(C)cc(c1)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H19N/c1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3
• InChIKey: LALSDZUUMUYHPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-N,N-diphenylaniline
• IUPAC Traditional name: 3,5-dimethyl-N,N-diphenylaniline
• Synonyms: 3,5-dimethyltriphenylamine

Database IDs

• CAS Number: 51786-49-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.321649
• LogD (pH = 7.4): 6.321649
• Log P: 6.321649
• Molar Refractivity: 89.3009 cm^3
• Polarizability: 34.30165 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%