2-(3,4-diethoxyphenyl)acetohydrazide

• ChemBase ID: 27298
• Molecular Formular: C12H18N2O3
• Molecular Mass: 238.28292
• Monoisotopic Mass: 238.13174245
• SMILES: c1(c(ccc(c1)CC(=O)NN)OCC)OCC
• Canonical SMILES: CCOc1cc(ccc1OCC)CC(=O)NN
• InChI: InChI=1S/C12H18N2O3/c1-3-16-10-6-5-9(8-12(15)14-13)7-11(10)17-4-2/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
• InChIKey: GIIWXHQWSFDFDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-diethoxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(3,4-diethoxyphenyl)acetohydrazide
• Synonyms: 2-(3,4-Diethoxyphenyl)acetohydrazide

Database IDs

• CAS Number: 91908-37-1
• MDL Number: MFCD03419414
• PubChem SID: 160990605
• PubChem CID: 843249

CALCULATED PROPERTIES

• Acid pKa: 12.51285
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.90407604
• LogD (pH = 7.4): 0.90582377
• Log P: 0.90584916
• Molar Refractivity: 66.0955 cm^3
• Polarizability: 25.372044 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false