2,2-diphenylacetohydrazide

• ChemBase ID: 21602
• Molecular Formular: C14H14N2O
• Molecular Mass: 226.27376
• Monoisotopic Mass: 226.11061308
• SMILES: C(=O)(C(c1ccccc1)c1ccccc1)NN
• Canonical SMILES: NNC(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)
• InChIKey: YBBSKAGTEPBSNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylacetohydrazide
• IUPAC Traditional name: 2,2-diphenylacetohydrazide
• Synonyms: 2,2-Diphenylacetohydrazide

Database IDs

• CAS Number: 6636-02-8
• MDL Number: MFCD00544954
• PubChem SID: 160984909
• PubChem CID: 226139

CALCULATED PROPERTIES

• Acid pKa: 12.859938
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.182655
• LogD (pH = 7.4): 2.184343
• Log P: 2.184366
• Molar Refractivity: 68.3414 cm^3
• Polarizability: 26.253517 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