2-(benzyloxy)benzohydrazide

• ChemBase ID: 21677
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: c1(C(=O)NN)c(OCc2ccccc2)cccc1
• Canonical SMILES: NNC(=O)c1ccccc1OCc1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
• InChIKey: WPIKJQNXQSBHPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)benzohydrazide
• IUPAC Traditional name: 2-(benzyloxy)benzohydrazide
• Synonyms: 2-(Benzyloxy)benzohydrazide

Database IDs

• MDL Number: MFCD00553734
• PubChem SID: 160984984
• PubChem CID: 935766

CALCULATED PROPERTIES

• Acid pKa: 13.569862
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0934434
• LogD (pH = 7.4): 2.0942023
• Log P: 2.0942123
• Molar Refractivity: 70.6963 cm^3
• Polarizability: 26.692888 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false