2-(4-phenylphenyl)acetohydrazide

• ChemBase ID: 27267
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(NN)Cc1ccc(c2ccccc2)cc1
• Canonical SMILES: NNC(=O)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H14N2O/c15-16-14(17)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10,15H2,(H,16,17)
• InChIKey: MLSJQOUEHHYKAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)acetohydrazide
• IUPAC Traditional name: 2-(4-phenylphenyl)acetohydrazide
• Synonyms: 2-(1,1'-Biphenyl-4-yl)acetohydrazide; 2-biphenyl-4-ylacetohydrazide

Database IDs

• CAS Number: 139277-58-0
• MDL Number: MFCD01077283
• PubChem SID: 160990574
• PubChem CID: 3861598

CALCULATED PROPERTIES

• Acid pKa: 13.120888
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.153028
• LogD (pH = 7.4): 2.154778
• Log P: 2.1548011
• Molar Refractivity: 68.8081 cm^3
• Polarizability: 27.65988 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false