4-methyl-N-(4-methylphenyl)aniline

• ChemBase ID: 69880
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: N(c1ccc(cc1)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)Nc1ccc(cc1)C
• InChI: InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
• InChIKey: RHPVVNRNAHRJOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-(4-methylphenyl)aniline
• IUPAC Traditional name: 4-methyl-N-(4-methylphenyl)aniline
• Synonyms: 4,4'-Dimethyldiphenylamine; Di-p-tolylamine; 4,4′-二甲基二苯胺

Database IDs

• CAS Number: 620-93-9
• EC Number: 210-659-8
• MDL Number: MFCD00059317
• PubChem SID: 24869804; 162035605
• PubChem CID: 69293

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.439952
• LogD (pH = 7.4): 4.4400134
• Log P: 4.4400144
• Molar Refractivity: 64.6266 cm^3
• Polarizability: 24.667469 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-82 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%
• Linear Formula: (CH3C6H4)2NH

DETAILS

Sigma Aldrich - 461083

Packaging
25 g in poly bottle
5 g in glass bottle