2,4-dimethoxybenzohydrazide

• ChemBase ID: 271158
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: c1(c(cc(cc1)OC)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1OC)OC
• InChI: InChI=1S/C9H12N2O3/c1-13-6-3-4-7(9(12)11-10)8(5-6)14-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: MFLNKGMNBJMNNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxybenzohydrazide
• IUPAC Traditional name: 2,4-dimethoxybenzohydrazide
• Synonyms: 2,4-dimethoxybenzohydrazide

Database IDs

• CAS Number: 103956-10-1
• MDL Number: MFCD01001348
• PubChem SID: 164327068
• PubChem CID: 456728

CALCULATED PROPERTIES

• Acid pKa: 13.681962
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.21124701
• LogD (pH = 7.4): 0.21205734
• Log P: 0.21206789
• Molar Refractivity: 52.5469 cm^3
• Polarizability: 19.660221 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): 0.378

Product Information

• Purity: 95%