3,4,5-triethoxybenzohydrazide

• ChemBase ID: 25793
• Molecular Formular: C13H20N2O4
• Molecular Mass: 268.3089
• Monoisotopic Mass: 268.14230713
• SMILES: c1(c(cc(C(=O)NN)cc1OCC)OCC)OCC
• Canonical SMILES: CCOc1cc(cc(c1OCC)OCC)C(=O)NN
• InChI: InChI=1S/C13H20N2O4/c1-4-17-10-7-9(13(16)15-14)8-11(18-5-2)12(10)19-6-3/h7-8H,4-6,14H2,1-3H3,(H,15,16)
• InChIKey: VAJDYADVRMKUIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-triethoxybenzohydrazide
• IUPAC Traditional name: 3,4,5-triethoxybenzohydrazide
• Synonyms: 3,4,5-Triethoxybenzohydrazide

Database IDs

• CAS Number: 379254-36-1
• MDL Number: MFCD03147243
• PubChem SID: 160989100
• PubChem CID: 1991425

CALCULATED PROPERTIES

• Acid pKa: 13.787356
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.1239539
• LogD (pH = 7.4): 1.1248094
• Log P: 1.1248205
• Molar Refractivity: 73.2559 cm^3
• Polarizability: 27.700201 Å^3
• Polar Surface Area: 82.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.287

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%