1,4-bis(2-methylphenyl)tetraaz-2-ene

• ChemBase ID: 106799
• Molecular Formular: C14H16N4
• Molecular Mass: 240.30364
• Monoisotopic Mass: 240.13749653
• SMILES: Cc1ccccc1N/N=N/Nc1ccccc1C
• Canonical SMILES: Cc1ccccc1N/N=N/Nc1ccccc1C
• InChI: InChI=1S/C14H16N4/c1-11-7-3-5-9-13(11)15-17-18-16-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,15,18)(H,16,17)
• InChIKey: WBJFUTXVWYZJDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(2-methylphenyl)tetraaz-2-ene
• IUPAC Traditional name: 1,4-bis(2-methylphenyl)tetraaz-2-ene
• Synonyms: AZO-o-TOLUIDINE

Database IDs

• CAS Number: 97-56-3
• PubChem SID: 162087230
• PubChem CID: 25021273

CALCULATED PROPERTIES

• Acid pKa: 19.628313
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.4917336
• LogD (pH = 7.4): 4.4917336
• Log P: 4.4917336
• Molar Refractivity: 80.472 cm^3
• Polarizability: 27.414726 Å^3
• Polar Surface Area: 48.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201448

MP Biomedicals Rare Chemical collection