2-methyl-5-[(E)-2-(4-methylphenyl)diazen-1-yl]aniline

• ChemBase ID: 287422
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: Nc1cc(/N=N/c2ccc(C)cc2)ccc1C
• Canonical SMILES: Cc1ccc(cc1)/N=N/c1ccc(c(c1)N)C
• InChI: InChI=1S/C14H15N3/c1-10-3-6-12(7-4-10)16-17-13-8-5-11(2)14(15)9-13/h3-9H,15H2,1-2H3/b17-16+
• InChIKey: FYVSWXFFTWIQCF-WUKNDPDISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-[(E)-2-(4-methylphenyl)diazen-1-yl]aniline
• IUPAC Traditional name: 2-methyl-5-[(E)-2-(4-methylphenyl)diazen-1-yl]aniline
• Synonyms: 2-Methyl-5-(p-tolyldiazenyl)aniline

Database IDs

• CAS Number: 97-56-3
• MDL Number: MFCD00007733
• PubChem SID: 180672953
• PubChem CID: 53825548

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.575805
• LogD (pH = 7.4): 4.5770407
• Log P: 4.5770564
• Molar Refractivity: 75.1598 cm^3
• Polarizability: 26.249666 Å^3
• Polar Surface Area: 50.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%