4-methyl-N-(4-nitrophenyl)-N-phenylaniline

• ChemBase ID: 291741
• Molecular Formular: C19H16N2O2
• Molecular Mass: 304.34254
• Monoisotopic Mass: 304.12117776
• SMILES: O=[N+](c1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1)[O-]
• Canonical SMILES: Cc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C19H16N2O2/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)18-11-13-19(14-12-18)21(22)23/h2-14H,1H3
• InChIKey: LUNSHOIFFSFPAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-(4-nitrophenyl)-N-phenylaniline; N-(4-methylphenyl)-4-nitro-N-phenylaniline
• IUPAC Traditional name: 4-methyl-N-(4-nitrophenyl)-N-phenylaniline; N-(4-methylphenyl)-4-nitro-N-phenylaniline
• Synonyms: 4-methyl-n-(4-nitrophenyl)-n-phenylbenzenamine; 4-Methyl-N-(4-nitrophenyl)-N-phenylaniline

Database IDs

• CAS Number: 894430-73-0
• MDL Number: MFCD13194736
• PubChem SID: 180677272
• PubChem CID: 45108309

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.748212
• LogD (pH = 7.4): 5.748212
• Log P: 5.748212
• Molar Refractivity: 90.5802 cm^3
• Polarizability: 34.269157 Å^3
• Polar Surface Area: 46.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 98%