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1228665-70-0 molecular structure
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N-(3-{3-[(tert-butyldimethylsilyl)oxy]propyl}pyridin-2-yl)-2,2-dimethylpropanamide

ChemBase ID: 51617
Molecular Formular: C19H34N2O2Si
Molecular Mass: 350.57096
Monoisotopic Mass: 350.23895487
SMILES and InChIs

SMILES:
c1cnc(c(c1)CCCO[Si](C(C)(C)C)(C)C)NC(=O)C(C)(C)C
Canonical SMILES:
O=C(C(C)(C)C)Nc1ncccc1CCCO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C19H34N2O2Si/c1-18(2,3)17(22)21-16-15(11-9-13-20-16)12-10-14-23-24(7,8)19(4,5)6/h9,11,13H,10,12,14H2,1-8H3,(H,20,21,22)
InChIKey:
MYQUECVILKJYDX-UHFFFAOYSA-N

Cite this record

CBID:51617 http://www.chembase.cn/molecule-51617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-{3-[(tert-butyldimethylsilyl)oxy]propyl}pyridin-2-yl)-2,2-dimethylpropanamide
IUPAC Traditional name
N-(3-{3-[(tert-butyldimethylsilyl)oxy]propyl}pyridin-2-yl)-2,2-dimethylpropanamide
Synonyms
N-(3-(3-(tert-Butyldimethylsilyloxy)propyl)pyridin-2-yl)pivalamide
N-(3-(3-(tert-Butyldimethylsilyloxy)propyl)-pyridin-2-yl)pivalamide
N-(3-(3-(tert-Butyldimethylsilyloxy)propyl)pyridin-2-yl)pivalamide
CAS Number
1228665-70-0
MDL Number
MFCD15530289
PubChem SID
162056380
PubChem CID
46318153

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46318153 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.022979  H Acceptors
H Donor LogD (pH = 5.5) 5.2504954 
LogD (pH = 7.4) 5.290158  Log P 5.2907 
Molar Refractivity 98.8 cm3 Polarizability 39.957973 Å3
Polar Surface Area 51.22 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

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)
C19H34N2O2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000806 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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