4-(benzyloxy)benzohydrazide

• ChemBase ID: 21676
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(c1ccc(OCc2ccccc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-16-14(17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)
• InChIKey: LZMCSSDFZRJZIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)benzohydrazide
• IUPAC Traditional name: 4-(benzyloxy)benzohydrazide
• Synonyms: 4-Benzyloxybenzohydrazide; 4-Benzyloxybenzoic acid hydrazide; 4-(Benzyloxy)benzohydrazide

Database IDs

• CAS Number: 128958-65-6
• MDL Number: MFCD00564772
• PubChem SID: 160984983
• PubChem CID: 1526486

CALCULATED PROPERTIES

• Acid pKa: 14.497692
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0932662
• LogD (pH = 7.4): 2.0942004
• Log P: 2.0942123
• Molar Refractivity: 70.6963 cm^3
• Polarizability: 26.69015 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false