4-methyl-N-(4-methylphenyl)-N-phenylaniline

• ChemBase ID: 69853
• Molecular Formular: C20H19N
• Molecular Mass: 273.37156
• Monoisotopic Mass: 273.15174961
• SMILES: N(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccccc1
• Canonical SMILES: Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccccc1
• InChI: InChI=1S/C20H19N/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3
• InChIKey: YWKKLBATUCJUHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-(4-methylphenyl)-N-phenylaniline
• IUPAC Traditional name: 4-methyl-N-(4-methylphenyl)-N-phenylaniline
• Synonyms: 4,4'-Dimethyltriphenylamine

Database IDs

• CAS Number: 20440-95-3
• MDL Number: MFCD00145004
• PubChem SID: 162035578
• PubChem CID: 88539

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: 34.300186 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%