N,N'-diphenylbenzenecarboximidamide

• ChemBase ID: 75285
• Molecular Formular: C19H16N2
• Molecular Mass: 272.34374
• Monoisotopic Mass: 272.13134852
• SMILES: N(=C(\c1ccccc1)/Nc1ccccc1)\c1ccccc1
• Canonical SMILES: c1ccc(cc1)N/C(=N/c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C19H16N2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,(H,20,21)
• InChIKey: PMYWPCUIMGLRHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-diphenylbenzenecarboximidamide
• IUPAC Traditional name: N,N'-diphenylbenzenecarboximidamide
• Synonyms: N,N′-Diphenylbenzamidine; N,N'-Diphenylbenzamidine; N,N′-二苯基苄脒

Database IDs

• CAS Number: 2556-46-9
• EC Number: 219-872-0
• MDL Number: MFCD00014074; MFCD01462033
• PubChem SID: 162040203; 24864885; 24864334
• PubChem CID: 75709

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5788193
• LogD (pH = 7.4): 4.825773
• Log P: 5.126889
• Molar Refractivity: 90.3371 cm^3
• Polarizability: 33.283657 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 125-129 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H413
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (TLC)
• Grade: purum
• Empirical Formula (Hill Notation): C19H16N2