tert-butyl N-[5-methoxy-4-(trimethylsilyl)pyridin-3-yl]carbamate

• ChemBase ID: 32451
• Molecular Formular: C14H24N2O3Si
• Molecular Mass: 296.43746
• Monoisotopic Mass: 296.15561917
• SMILES: c1(cncc(c1[Si](C)(C)C)NC(=O)OC(C)(C)C)OC
• Canonical SMILES: COc1cncc(c1[Si](C)(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C14H24N2O3Si/c1-14(2,3)19-13(17)16-10-8-15-9-11(18-4)12(10)20(5,6)7/h8-9H,1-7H3,(H,16,17)
• InChIKey: FVEQUJHTDPTPMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[5-methoxy-4-(trimethylsilyl)pyridin-3-yl]carbamate
• IUPAC Traditional name: tert-butyl N-[5-methoxy-4-(trimethylsilyl)pyridin-3-yl]carbamate
• Synonyms: tert-Butyl 5-methoxy-4-(trimethylsilyl)pyridin-3-ylcarbamate; tert-Butyl 5-methoxy-4-(trimethylsilyl)pyridin-3-ylcarbamate

Database IDs

• CAS Number: 1045858-18-1
• MDL Number: MFCD11052842
• PubChem SID: 160995758
• PubChem CID: 45361736

CALCULATED PROPERTIES

• Acid pKa: 12.207217
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8404129
• LogD (pH = 7.4): 2.8510556
• Log P: 2.8512
• Molar Refractivity: 76.7201 cm^3
• Polarizability: 31.51857 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H24N2O3Si

DETAILS

Sigma Aldrich - ADE000454

Other Notes
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