4-phenoxybutanehydrazide

• ChemBase ID: 38104
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1c(cccc1)OCCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCOc1ccccc1
• InChI: InChI=1S/C10H14N2O2/c11-12-10(13)7-4-8-14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H,12,13)
• InChIKey: BCPGIEPYVGXOOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenoxybutanehydrazide
• IUPAC Traditional name: 4-phenoxybutanehydrazide
• Synonyms: 4-Phenoxybutanohydrazide

Database IDs

• MDL Number: MFCD11643300
• PubChem SID: 161001411
• PubChem CID: 13721447

CALCULATED PROPERTIES

• Acid pKa: 12.800284
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.71326077
• LogD (pH = 7.4): 0.71577966
• Log P: 0.7158135
• Molar Refractivity: 54.3665 cm^3
• Polarizability: 21.006996 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false