ethyl 2-(hydrazinecarbonyl)acetate

• ChemBase ID: 151890
• Molecular Formular: C5H10N2O3
• Molecular Mass: 146.1445
• Monoisotopic Mass: 146.06914219
• SMILES: CCOC(=O)CC(=O)NN
• Canonical SMILES: CCOC(=O)CC(=O)NN
• InChI: InChI=1S/C5H10N2O3/c1-2-10-5(9)3-4(8)7-6/h2-3,6H2,1H3,(H,7,8)
• InChIKey: HCPOCMMGKBZWSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(hydrazinecarbonyl)acetate
• IUPAC Traditional name: ethyl 2-(hydrazinecarbonyl)acetate
• Synonyms: Ethyl malonyl hydrazide; Ethyl 3-hydrazino-3-oxopropionate; 3-氧代-3-肼基丙酸乙酯

Database IDs

• CAS Number: 30866-24-1
• MDL Number: MFCD00134484
• PubChem SID: 162246036; 24863594
• PubChem CID: 252897

CALCULATED PROPERTIES

• Acid pKa: 12.295239
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9342834
• LogD (pH = 7.4): -0.9318698
• Log P: -0.93183357
• Molar Refractivity: 34.8118 cm^3
• Polarizability: 13.458462 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-75 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: H2NNHCOCH2CO2C2H5

DETAILS

Sigma Aldrich - 378909

Packaging
25 g in glass bottle