3-phenoxypropanehydrazide

• ChemBase ID: 265943
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(=O)(CCOc1ccccc1)NN
• Canonical SMILES: NNC(=O)CCOc1ccccc1
• InChI: InChI=1S/C9H12N2O2/c10-11-9(12)6-7-13-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
• InChIKey: WRHSYZCXIFCBHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxypropanehydrazide
• IUPAC Traditional name: 3-phenoxypropanehydrazide
• Synonyms: 3-phenoxypropanehydrazide

Database IDs

• MDL Number: MFCD01930251
• PubChem SID: 164321853
• PubChem CID: 12425703

CALCULATED PROPERTIES

• Acid pKa: 12.681201
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.42462137
• LogD (pH = 7.4): 0.4271182
• Log P: 0.42715228
• Molar Refractivity: 49.6115 cm^3
• Polarizability: 19.168297 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 0.552

Product Information

• Purity: 95%