(Z)-N'-hydroxy-2,2-diphenylethenimidamide

• ChemBase ID: 247261
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=N\O)(/C(c1ccccc1)c1ccccc1)\N
• Canonical SMILES: O/N=C(/C(c1ccccc1)c1ccccc1)\N
• InChI: InChI=1S/C14H14N2O/c15-14(16-17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,17H,(H2,15,16)
• InChIKey: KTMXYVWQDZLZAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-hydroxy-2,2-diphenylethenimidamide
• IUPAC Traditional name: (Z)-N'-hydroxy-2,2-diphenylethenimidamide
• Synonyms: (1Z)-N'-hydroxy-2,2-diphenylethanimidamide

Database IDs

• CAS Number: 66824-86-0
• MDL Number: MFCD00439791
• PubChem SID: 164303171
• PubChem CID: 5733651

CALCULATED PROPERTIES

• Acid pKa: 10.790549
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4881575
• LogD (pH = 7.4): 2.5464547
• Log P: 2.5474882
• Molar Refractivity: 67.8011 cm^3
• Polarizability: 26.171759 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 2.705

Product Information

• Purity: 95%