N'-(phenylamino)-N-(phenylimino)benzenecarboximidamide

• ChemBase ID: 102810
• Molecular Formular: C19H16N4
• Molecular Mass: 300.35714
• Monoisotopic Mass: 300.13749653
• SMILES: N(/N=C(\N=N\c1ccccc1)/c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N/N=C(/c1ccccc1)\N=N\c1ccccc1
• InChI: InChI=1S/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H
• InChIKey: BEIHVSJTPTXQGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(phenylamino)-N-(phenylimino)benzenecarboximidamide
• IUPAC Traditional name: N'-(phenylamino)-N-(phenylimino)benzenecarboximidamide
• Synonyms: 2,3,5-TRIPHENYL TETRAZOLIUM CHLORIDE FORMAZAN

Database IDs

• CAS Number: 531-52-2
• EC Number: 208-509-1
• PubChem SID: 162090286
• PubChem CID: 5464164

CALCULATED PROPERTIES

• Acid pKa: 13.492491
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.6353993
• LogD (pH = 7.4): 5.635451
• Log P: 5.6354594
• Molar Refractivity: 95.6626 cm^3
• Polarizability: 34.899788 Å^3
• Polar Surface Area: 49.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02103127

Crystalline