4-hydroxy-3,5-dimethoxybenzohydrazide

• ChemBase ID: 8398
• Molecular Formular: C9H12N2O4
• Molecular Mass: 212.20258
• Monoisotopic Mass: 212.07970687
• SMILES: c1(cc(c(c(c1)OC)O)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(OC)c(c(c1)OC)O
• InChI: InChI=1S/C9H12N2O4/c1-14-6-3-5(9(13)11-10)4-7(15-2)8(6)12/h3-4,12H,10H2,1-2H3,(H,11,13)
• InChIKey: AKZAAANGIPRVDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-3,5-dimethoxybenzohydrazide
• IUPAC Traditional name: 4-hydroxy-3,5-dimethoxybenzohydrazide
• Synonyms: 4-Hydroxy-3,5-dimethoxybenzhydrazide; 3,5-Dimethoxy-4-hydroxybenzhydrazide; 3,5-Dimethoxy-4-hydroxybenzhydrazide; 3,5-二甲氧基-4-羟基苯酰肼

Database IDs

• CAS Number: 1443-76-1
• EC Number: 215-884-5
• MDL Number: MFCD00017077
• Beilstein Number: 2657142
• PubChem SID: 160971705
• PubChem CID: 74043

CALCULATED PROPERTIES

• Acid pKa: 8.328545
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.0930082
• LogD (pH = 7.4): -0.13949761
• Log P: -0.091497436
• Molar Refractivity: 54.5278 cm^3
• Polarizability: 20.317226 Å^3
• Polar Surface Area: 93.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154-157°C; 156-157°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

Product Information

• Purity: 97%