(Z)-N,N'-diphenyl-2-(phenylamino)ethenimidamide

• ChemBase ID: 252813
• Molecular Formular: C20H19N3
• Molecular Mass: 301.38496
• Monoisotopic Mass: 301.15789762
• SMILES: C(=N\c1ccccc1)(\Nc1ccccc1)/CNc1ccccc1
• Canonical SMILES: c1ccc(cc1)NC/C(=N/c1ccccc1)/Nc1ccccc1
• InChI: InChI=1S/C20H19N3/c1-4-10-17(11-5-1)21-16-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-15,21H,16H2,(H,22,23)
• InChIKey: XOJCLXSBWHIEGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N,N'-diphenyl-2-(phenylamino)ethenimidamide
• IUPAC Traditional name: (Z)-N,N'-diphenyl-2-(phenylamino)ethenimidamide
• Synonyms: (1Z)-2-anilino-N,N'-diphenylethanimidamide

Database IDs

• CAS Number: 14181-81-8
• MDL Number: MFCD01110225
• PubChem SID: 164308723
• PubChem CID: 2749598

CALCULATED PROPERTIES

• Acid pKa: 19.00793
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0160909
• LogD (pH = 7.4): 4.2401233
• Log P: 4.420068
• Molar Refractivity: 99.3593 cm^3
• Polarizability: 36.25578 Å^3
• Polar Surface Area: 36.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.284

Product Information

• Purity: 95%