3-(benzyloxy)benzohydrazide

• ChemBase ID: 52040
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: C(=O)(c1cc(ccc1)OCc1ccccc1)NN
• Canonical SMILES: NNC(=O)c1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C14H14N2O2/c15-16-14(17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10,15H2,(H,16,17)
• InChIKey: JKJQCSNZIBXALH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)benzohydrazide
• IUPAC Traditional name: 3-(benzyloxy)benzohydrazide
• Synonyms: 3-Benzyloxybenzhydrazide; 3-Benzyloxybenzohydrazide

Database IDs

• CAS Number: 228419-13-4
• MDL Number: MFCD01310784
• PubChem SID: 162056803
• PubChem CID: 2735491

CALCULATED PROPERTIES

• Acid pKa: 14.034923
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.093363
• LogD (pH = 7.4): 2.0942016
• Log P: 2.0942123
• Molar Refractivity: 70.6963 cm^3
• Polarizability: 26.690746 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113-115°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false