ethyl (hydrazinecarbonyl)formate

• ChemBase ID: 284509
• Molecular Formular: C4H8N2O3
• Molecular Mass: 132.11792
• Monoisotopic Mass: 132.05349213
• SMILES: C(=O)(C(=O)OCC)NN
• Canonical SMILES: CCOC(=O)C(=O)NN
• InChI: InChI=1S/C4H8N2O3/c1-2-9-4(8)3(7)6-5/h2,5H2,1H3,(H,6,7)
• InChIKey: KGGHFXZJDYAHAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (hydrazinecarbonyl)formate
• IUPAC Traditional name: ethyl (hydrazinecarbonyl)formate
• Synonyms: ethyl (hydrazinecarbonyl)formate; Ethyl 2-hydrazinyl-2-oxoacetate

Database IDs

• CAS Number: 35196-48-6
• MDL Number: MFCD05665958
• PubChem SID: 180670040
• PubChem CID: 2786935

CALCULATED PROPERTIES

• Acid pKa: 9.53152
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6315231
• LogD (pH = 7.4): -0.63397014
• Log P: -0.6311345
• Molar Refractivity: 30.2626 cm^3
• Polarizability: 11.649217 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): -1.076

Product Information

• Purity: 95%; 95+%; 98%