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618107-92-9 molecular structure
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N-(4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-yl)-2,2-dimethylpropanamide

ChemBase ID: 15491
Molecular Formular: C17H30N2O2Si
Molecular Mass: 322.5178
Monoisotopic Mass: 322.20765474
SMILES and InChIs

SMILES:
c1cnc(cc1CO[Si](C(C)(C)C)(C)C)NC(=O)C(C)(C)C
Canonical SMILES:
O=C(C(C)(C)C)Nc1nccc(c1)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C17H30N2O2Si/c1-16(2,3)15(20)19-14-11-13(9-10-18-14)12-21-22(7,8)17(4,5)6/h9-11H,12H2,1-8H3,(H,18,19,20)
InChIKey:
YYGCOZPKRPLSPU-UHFFFAOYSA-N

Cite this record

CBID:15491 http://www.chembase.cn/molecule-15491.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-yl)-2,2-dimethylpropanamide
IUPAC Traditional name
N-(4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-yl)-2,2-dimethylpropanamide
Synonyms
N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide
N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide
CAS Number
618107-92-9
MDL Number
MFCD06411045
PubChem SID
160978798
PubChem CID
4233042

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4233042 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.969019  H Acceptors
H Donor LogD (pH = 5.5) 4.6315036 
LogD (pH = 7.4) 4.642545  Log P 4.6427 
Molar Refractivity 89.444 cm3 Polarizability 36.344933 Å3
Polar Surface Area 51.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C17H30N2O2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000279 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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