N-(3,4-dimethylphenyl)-3,4-dimethylaniline

• ChemBase ID: 287092
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: Cc1ccc(Nc2ccc(C)c(C)c2)cc1C
• Canonical SMILES: Cc1ccc(cc1C)Nc1ccc(c(c1)C)C
• InChI: InChI=1S/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3
• InChIKey: IMQQPEKHINRTCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)-3,4-dimethylaniline
• IUPAC Traditional name: N-(3,4-dimethylphenyl)-3,4-dimethylaniline
• Synonyms: Bis-(3,4-dimethylphenyl)amine

Database IDs

• CAS Number: 55389-75-8
• PubChem SID: 180672623
• PubChem CID: 614511

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.4667563
• LogD (pH = 7.4): 5.466856
• Log P: 5.466857
• Molar Refractivity: 74.709 cm^3
• Polarizability: 28.19749 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%