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470463-43-5 molecular structure
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2,2-dimethyl-N-{5-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}propanamide

ChemBase ID: 23698
Molecular Formular: C15H22N2OSi
Molecular Mass: 274.43348
Monoisotopic Mass: 274.15013987
SMILES and InChIs

SMILES:
c1(cnc(cc1)NC(=O)C(C)(C)C)C#C[Si](C)(C)C
Canonical SMILES:
O=C(C(C)(C)C)Nc1ccc(cn1)C#C[Si](C)(C)C
InChI:
InChI=1S/C15H22N2OSi/c1-15(2,3)14(18)17-13-8-7-12(11-16-13)9-10-19(4,5)6/h7-8,11H,1-6H3,(H,16,17,18)
InChIKey:
FOKZXVSYCUPKBI-UHFFFAOYSA-N

Cite this record

CBID:23698 http://www.chembase.cn/molecule-23698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethyl-N-{5-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}propanamide
IUPAC Traditional name
2,2-dimethyl-N-{5-[2-(trimethylsilyl)ethynyl]pyridin-2-yl}propanamide
Synonyms
2,2-Dimethyl-N-(5-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
2,2-Dimethyl-N-(5-trimethylsilanylethynyl-pyridin-2-yl)-propionamide
CAS Number
470463-43-5
MDL Number
MFCD04039868
PubChem SID
160987005
PubChem CID
17998780

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.103752  H Acceptors
H Donor LogD (pH = 5.5) 4.612309 
LogD (pH = 7.4) 4.613674  Log P 4.6137 
Molar Refractivity 73.0166 cm3 Polarizability 30.869743 Å3
Polar Surface Area 41.99 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
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C15H22N2OSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000248 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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