2,4,5-trimethoxybenzohydrazide

• ChemBase ID: 27299
• Molecular Formular: C10H14N2O4
• Molecular Mass: 226.22916
• Monoisotopic Mass: 226.09535694
• SMILES: c1(c(cc(c(c1)OC)OC)OC)C(=O)NN
• Canonical SMILES: COc1cc(C(=O)NN)c(cc1OC)OC
• InChI: InChI=1S/C10H14N2O4/c1-14-7-5-9(16-3)8(15-2)4-6(7)10(13)12-11/h4-5H,11H2,1-3H3,(H,12,13)
• InChIKey: MGDMATIDPSOPEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-trimethoxybenzohydrazide
• IUPAC Traditional name: 2,4,5-trimethoxybenzohydrazide
• Synonyms: 2,4,5-Trimethoxybenzohydrazide

Database IDs

• CAS Number: 588677-34-3
• MDL Number: MFCD03423206
• PubChem SID: 160990606
• PubChem CID: 3756958

CALCULATED PROPERTIES

• Acid pKa: 13.310617
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.053615786
• LogD (pH = 7.4): 0.054386307
• Log P: 0.054396622
• Molar Refractivity: 59.0101 cm^3
• Polarizability: 22.209812 Å^3
• Polar Surface Area: 82.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false