N-[4-(hydrazinecarbonyl)pyridin-2-yl]-2,2-dimethylpropanamide

• ChemBase ID: 15479
• Molecular Formular: C11H16N4O2
• Molecular Mass: 236.27034
• Monoisotopic Mass: 236.12732577
• SMILES: c1cnc(cc1C(=O)NN)NC(=O)C(C)(C)C
• Canonical SMILES: NNC(=O)c1ccnc(c1)NC(=O)C(C)(C)C
• InChI: InChI=1S/C11H16N4O2/c1-11(2,3)10(17)14-8-6-7(4-5-13-8)9(16)15-12/h4-6H,12H2,1-3H3,(H,15,16)(H,13,14,17)
• InChIKey: KEWBXPIEWGXSRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(hydrazinecarbonyl)pyridin-2-yl]-2,2-dimethylpropanamide
• IUPAC Traditional name: N-[4-(hydrazinecarbonyl)pyridin-2-yl]-2,2-dimethylpropanamide
• Synonyms: N-(4-Hydrazinocarbonyl-pyridin-2-yl)-2,2-dimethyl-propionamide; N-(4-Hydrazinocarbonyl-pyridin-2-yl)-2,2-dimethyl-propionamide

Database IDs

• CAS Number: 470463-39-9
• MDL Number: MFCD04039863
• PubChem SID: 160978786
• PubChem CID: 17750160

CALCULATED PROPERTIES

• Acid pKa: 11.885884
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.94045126
• LogD (pH = 7.4): 0.9414164
• Log P: 0.9414423
• Molar Refractivity: 66.3425 cm^3
• Polarizability: 24.130024 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 195.0-195.1°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C11H16N4O2

DETAILS

Sigma Aldrich - ADE000244

Other Notes
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