4-phenylbutanehydrazide

• ChemBase ID: 269255
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(NN)CCCc1ccccc1
• Canonical SMILES: NNC(=O)CCCc1ccccc1
• InChI: InChI=1S/C10H14N2O/c11-12-10(13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H,12,13)
• InChIKey: FRDAMOQWGGGQRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylbutanehydrazide
• IUPAC Traditional name: 4-phenylbutanehydrazide
• Synonyms: 4-phenylbutanehydrazide

Database IDs

• MDL Number: MFCD03422928
• PubChem SID: 164325165
• PubChem CID: 287325

CALCULATED PROPERTIES

• Acid pKa: 13.227399
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3941598
• LogD (pH = 7.4): 1.3966802
• Log P: 1.3967131
• Molar Refractivity: 52.8739 cm^3
• Polarizability: 20.329216 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.852

Product Information

• Purity: 95%