(2E)-N,3-diphenylprop-2-enimidic acid

• ChemBase ID: 813655
• Molecular Formular: C15H13NO
• Molecular Mass: 223.26982
• Monoisotopic Mass: 223.09971404
• SMILES: OC(=Nc1ccccc1)/C=C/c1ccccc1
• Canonical SMILES: OC(=Nc1ccccc1)/C=C/c1ccccc1
• InChI: InChI=1S/C15H13NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H,16,17)/b12-11+
• InChIKey: FIIZQHKGJMRJIL-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-N,3-diphenylprop-2-enimidic acid
• IUPAC Traditional name: (2E)-N,3-diphenylprop-2-enimidic acid
• Synonyms: N-phenylcinnamamide

Database IDs

• CAS Number: 25775-89-7

CALCULATED PROPERTIES

• Acid pKa: 0.4464303
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1854527
• LogD (pH = 7.4): 3.1854558
• Log P: 3.1854558
• Molar Refractivity: 72.0923 cm^3
• Polarizability: 26.46041 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%