1-(hydrazinecarbonyl)-N-(pentan-3-yl)formamide

• ChemBase ID: 278399
• Molecular Formular: C7H15N3O2
• Molecular Mass: 173.2129
• Monoisotopic Mass: 173.11642674
• SMILES: C(=O)(C(=O)NC(CC)CC)NN
• Canonical SMILES: CCC(NC(=O)C(=O)NN)CC
• InChI: InChI=1S/C7H15N3O2/c1-3-5(4-2)9-6(11)7(12)10-8/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12)
• InChIKey: CAOQAESCAZIIQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(hydrazinecarbonyl)-N-(pentan-3-yl)formamide
• IUPAC Traditional name: 1-(hydrazinecarbonyl)-N-(pentan-3-yl)formamide
• Synonyms: 1-(hydrazinecarbonyl)-N-(pentan-3-yl)formamide

Database IDs

• MDL Number: MFCD11212738
• PubChem SID: 164334309
• PubChem CID: 43164035

CALCULATED PROPERTIES

• Acid pKa: 10.814305
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.13225219
• LogD (pH = 7.4): -0.13215992
• Log P: -0.13200866
• Molar Refractivity: 45.6792 cm^3
• Polarizability: 17.515018 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): -1.18

Product Information

• Purity: 95%