methyl (hydrazinecarbonyl)formate

• ChemBase ID: 58770
• Molecular Formular: C3H6N2O3
• Molecular Mass: 118.09134
• Monoisotopic Mass: 118.03784206
• SMILES: C(=O)(C(=O)OC)NN
• Canonical SMILES: NNC(=O)C(=O)OC
• InChI: InChI=1S/C3H6N2O3/c1-8-3(7)2(6)5-4/h4H2,1H3,(H,5,6)
• InChIKey: FJIXKJZGSRJXOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (hydrazinecarbonyl)formate
• IUPAC Traditional name: methyl (hydrazinecarbonyl)formate
• Synonyms: Methyl hydrazino(oxo)acetate; methyl (hydrazinecarbonyl)formate; methyl 2-hydrazinyl-2-oxoacetate

Database IDs

• CAS Number: 63970-76-3
• MDL Number: MFCD01597248
• PubChem SID: 162063533
• PubChem CID: 11355473

CALCULATED PROPERTIES

• Acid pKa: 9.339895
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9883513
• LogD (pH = 7.4): -0.9923385
• Log P: -0.98794246
• Molar Refractivity: 25.514 cm^3
• Polarizability: 9.849725 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): -1.605

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%