N'-phenylpropanehydrazide

• ChemBase ID: 18299
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(NNc1ccccc1)CC
• Canonical SMILES: CCC(=O)NNc1ccccc1
• InChI: InChI=1S/C9H12N2O/c1-2-9(12)11-10-8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,11,12)
• InChIKey: HXAKXFPOKDRNCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-phenylpropanehydrazide
• IUPAC Traditional name: N'-phenylpropanehydrazide
• Synonyms: Propionic acid N'-phenyl-hydrazide

Database IDs

• MDL Number: MFCD00026999
• PubChem SID: 160981606
• PubChem CID: 88671

CALCULATED PROPERTIES

• Acid pKa: 13.990494
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7724506
• LogD (pH = 7.4): 1.7724504
• Log P: 1.7724506
• Molar Refractivity: 48.7734 cm^3
• Polarizability: 18.194952 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false