2,4-dimethyl-N,N-diphenylaniline

• ChemBase ID: 87275
• Molecular Formular: C20H19N
• Molecular Mass: 273.37156
• Monoisotopic Mass: 273.15174961
• SMILES: N(c1ccc(cc1C)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)C)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H19N/c1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15H,1-2H3
• InChIKey: FZXQGDAHMJFMSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethyl-N,N-diphenylaniline
• IUPAC Traditional name: 2,4-dimethyl-N,N-diphenylaniline
• Synonyms: 2,4-Dimethyl-N,N-diphenylaniline; 2,4-dimethyltriphenylamine

Database IDs

• CAS Number: 1228-80-4
• PubChem SID: 162074386
• PubChem CID: 19734975

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: 34.301193 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%