3,4-diethoxybenzohydrazide

• ChemBase ID: 9410
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: C(=O)(c1cc(c(cc1)OCC)OCC)NN
• Canonical SMILES: CCOc1cc(ccc1OCC)C(=O)NN
• InChI: InChI=1S/C11H16N2O3/c1-3-15-9-6-5-8(11(14)13-12)7-10(9)16-4-2/h5-7H,3-4,12H2,1-2H3,(H,13,14)
• InChIKey: UXWHTJPMGMMDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-diethoxybenzohydrazide
• IUPAC Traditional name: 3,4-diethoxybenzohydrazide
• Synonyms: 3,4-Diethoxybenzhydrazide

Database IDs

• CAS Number: 380482-31-5
• MDL Number: MFCD01310808
• PubChem SID: 160972717
• PubChem CID: 2758233

CALCULATED PROPERTIES

• Acid pKa: 14.142126
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.924778
• LogD (pH = 7.4): 0.9256723
• Log P: 0.9256838
• Molar Refractivity: 62.0441 cm^3
• Polarizability: 23.32445 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-166°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false