2-(3,4-dimethoxyphenyl)acetohydrazide

• ChemBase ID: 52395
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: c1(cc(c(cc1)OC)OC)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C10H14N2O3/c1-14-8-4-3-7(5-9(8)15-2)6-10(13)12-11/h3-5H,6,11H2,1-2H3,(H,12,13)
• InChIKey: HRMXYTRKEOUMNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)acetohydrazide
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)acetohydrazide
• Synonyms: 3,4-Dimethoxyphenylacetic acid hydrazide; 3,4-Dimethoxyphenylacethydrazide; Homoveratric acid hydrazide; 3,4-Dimethoxyphenylacetic acid hydrazide; 2-(3,4-dimethoxyphenyl)ethanohydrazide; 3,4-Dimethoxyphenylacethydrazide 98%; 3,4-二甲氧基苯乙酰肼

Database IDs

• CAS Number: 60075-23-2
• EC Number: 000-000-0
• MDL Number: MFCD00051701
• Beilstein Number: 2698478
• PubChem SID: 162057158
• PubChem CID: 282482

CALCULATED PROPERTIES

• Acid pKa: 12.336108
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.19046006
• LogD (pH = 7.4): 0.1922063
• Log P: 0.19223326
• Molar Refractivity: 56.5983 cm^3
• Polarizability: 21.701025 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-104°C; 105-107°C

Safety Information

• Storage Warning: IRRITANT; 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: 97%