2-ethoxybenzohydrazide

• ChemBase ID: 7949
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1cc(c(cc1)OCC)C(=O)NN
• Canonical SMILES: CCOc1ccccc1C(=O)NN
• InChI: InChI=1S/C9H12N2O2/c1-2-13-8-6-4-3-5-7(8)9(12)11-10/h3-6H,2,10H2,1H3,(H,11,12)
• InChIKey: LADUENYEZHMRQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxybenzohydrazide
• IUPAC Traditional name: 2-ethoxybenzohydrazide
• Synonyms: 2-Ethoxybenzhydrazide

Database IDs

• CAS Number: 21018-13-3
• MDL Number: MFCD00017050
• PubChem SID: 160971256
• PubChem CID: 140788

CALCULATED PROPERTIES

• Acid pKa: 13.582951
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.72577614
• LogD (pH = 7.4): 0.72653717
• Log P: 0.7265471
• Molar Refractivity: 50.8323 cm^3
• Polarizability: 18.953634 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-64°C

Safety Information

• TSCA Listed: false