2,2-dimethyl-N-[3-(trimethylsilyl)pyridin-4-yl]propanamide

• ChemBase ID: 23709
• Molecular Formular: C13H22N2OSi
• Molecular Mass: 250.41208
• Monoisotopic Mass: 250.15013987
• SMILES: c1(cnccc1NC(=O)C(C)(C)C)[Si](C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccncc1[Si](C)(C)C
• InChI: InChI=1S/C13H22N2OSi/c1-13(2,3)12(16)15-10-7-8-14-9-11(10)17(4,5)6/h7-9H,1-6H3,(H,14,15,16)
• InChIKey: IGQMORPEMZTJIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-[3-(trimethylsilyl)pyridin-4-yl]propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-[3-(trimethylsilyl)pyridin-4-yl]propanamide
• Synonyms: 2,2-Dimethyl-N-(3-trimethylsilanyl-pyridin-4-yl)-propionamide; 2,2-Dimethyl-N-(3-trimethylsilanyl-pyridin-4-yl)-propionamide

Database IDs

• CAS Number: 86847-70-3
• MDL Number: MFCD05663518
• PubChem SID: 160987016
• PubChem CID: 13154238

CALCULATED PROPERTIES

• Acid pKa: 13.372738
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1536148
• LogD (pH = 7.4): 3.4930105
• Log P: 3.5005
• Molar Refractivity: 68.5301 cm^3
• Polarizability: 28.28842 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C13H22N2OSi

DETAILS

Sigma Aldrich - ADE000273

Other Notes
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