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

• ChemBase ID: 16270
• Molecular Formular: C13H22N2OSi
• Molecular Mass: 250.41208
• Monoisotopic Mass: 250.15013987
• SMILES: c1cnc(c(c1)[Si](C)(C)C)NC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ncccc1[Si](C)(C)C
• InChI: InChI=1S/C13H22N2OSi/c1-13(2,3)12(16)15-11-10(17(4,5)6)8-7-9-14-11/h7-9H,1-6H3,(H,14,15,16)
• InChIKey: WJGJZDHOKCDEGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 86847-63-4
• MDL Number: MFCD05663517
• PubChem SID: 160979577
• PubChem CID: 15914609

CALCULATED PROPERTIES

• Acid pKa: 12.014955
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1837916
• LogD (pH = 7.4): 4.198893
• Log P: 4.1991
• Molar Refractivity: 68.8436 cm^3
• Polarizability: 28.292671 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101.4-101.5°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

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

DETAILS

Sigma Aldrich - ADE000272

Other Notes
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