1-(hydrazinecarbonyl)-N-(propan-2-yl)formamide

• ChemBase ID: 249554
• Molecular Formular: C5H11N3O2
• Molecular Mass: 145.15974
• Monoisotopic Mass: 145.08512661
• SMILES: C(=O)(C(=O)NC(C)C)NN
• Canonical SMILES: NNC(=O)C(=O)NC(C)C
• InChI: InChI=1S/C5H11N3O2/c1-3(2)7-4(9)5(10)8-6/h3H,6H2,1-2H3,(H,7,9)(H,8,10)
• InChIKey: KOBHAYJHXPTFMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)-N-(propan-2-yl)formamide
• IUPAC Traditional name: 1-(hydrazinecarbonyl)-N-isopropylformamide
• Synonyms: 2-hydrazino-N-isopropyl-2-oxoacetamide

Database IDs

• MDL Number: MFCD01986064
• PubChem SID: 164305464
• PubChem CID: 4962480

CALCULATED PROPERTIES

• Acid pKa: 10.631105
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.177298
• LogD (pH = 7.4): -1.1772825
• Log P: -1.1770535
• Molar Refractivity: 36.6312 cm^3
• Polarizability: 13.86693 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): -2.238

Product Information

• Purity: 95%