2-(3,4,5-trimethoxyphenyl)acetohydrazide

• ChemBase ID: 53664
• Molecular Formular: C11H16N2O4
• Molecular Mass: 240.25574
• Monoisotopic Mass: 240.111007
• SMILES: c1(c(cc(cc1OC)CC(=O)NN)OC)OC
• Canonical SMILES: NNC(=O)Cc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C11H16N2O4/c1-15-8-4-7(6-10(14)13-12)5-9(16-2)11(8)17-3/h4-5H,6,12H2,1-3H3,(H,13,14)
• InChIKey: ZCKXGEJWTJGJED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4,5-trimethoxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(3,4,5-trimethoxyphenyl)acetohydrazide
• Synonyms: 2-(3,4,5-Trimethoxyphenyl)acetohydrazide

Database IDs

• CAS Number: 34547-25-6
• MDL Number: MFCD17392923
• PubChem SID: 162058427
• PubChem CID: 15163738

CALCULATED PROPERTIES

• Acid pKa: 12.1550045
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.032788716
• LogD (pH = 7.4): 0.03453267
• Log P: 0.034562003
• Molar Refractivity: 63.0615 cm^3
• Polarizability: 24.245268 Å^3
• Polar Surface Area: 82.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106 °C; 104-106°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%