3,4-dimethoxybenzohydrazide

• ChemBase ID: 8407
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: C(=O)(c1cc(c(cc1)OC)OC)NN
• Canonical SMILES: NNC(=O)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C9H12N2O3/c1-13-7-4-3-6(9(12)11-10)5-8(7)14-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: LJMQIGMMUZLDOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxybenzohydrazide
• IUPAC Traditional name: 3,4-dimethoxybenzohydrazide
• Synonyms: Veratric acid hydrazide; 3,4-Dimethoxybenzhydrazide; 3,4-Dimethoxybenzhydrazide; 3,4-Dimethoxybenzenecarbohydrazide; 3,4-二甲氧基苯酰肼

Database IDs

• CAS Number: 41764-74-3
• EC Number: 255-541-7
• MDL Number: MFCD00017061
• Beilstein Number: 2651843
• PubChem SID: 160971714
• PubChem CID: 1530859

CALCULATED PROPERTIES

• Acid pKa: 14.151626
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2111607
• LogD (pH = 7.4): 0.21205638
• Log P: 0.21206789
• Molar Refractivity: 52.5469 cm^3
• Polarizability: 19.659647 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143-146°C; 145-146°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 98%; 98+%