2,5-dimethoxybenzohydrazide

• ChemBase ID: 8406
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: c1(cc(c(cc1)OC)C(=O)NN)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NN)OC
• InChI: InChI=1S/C9H12N2O3/c1-13-6-3-4-8(14-2)7(5-6)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: CSGBXTAUNHUMQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxybenzohydrazide
• IUPAC Traditional name: 2,5-dimethoxybenzohydrazide
• Synonyms: 2,5-Dimethoxybenzhydrazide; 2,5-Dimethoxybenzhydrazide; 2,5-二甲氧基苯酰肼

Database IDs

• CAS Number: 17894-25-6
• MDL Number: MFCD00017049
• PubChem SID: 160971713
• PubChem CID: 140304

CALCULATED PROPERTIES

• Acid pKa: 13.179038
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.21133672
• LogD (pH = 7.4): 0.21205804
• Log P: 0.21206789
• Molar Refractivity: 52.5469 cm^3
• Polarizability: 19.659931 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89-91°C

Safety Information

• 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