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17379-38-3 molecular structure
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3-(trimethylsilyl)pyridine-4-carbonitrile

ChemBase ID: 71303
Molecular Formular: C9H12N2Si
Molecular Mass: 176.29048
Monoisotopic Mass: 176.07697493
SMILES and InChIs

SMILES:
N#Cc1c([Si](C)(C)C)cncc1
Canonical SMILES:
N#Cc1ccncc1[Si](C)(C)C
InChI:
InChI=1S/C9H12N2Si/c1-12(2,3)9-7-11-5-4-8(9)6-10/h4-5,7H,1-3H3
InChIKey:
HOEFGISDEWYXLW-UHFFFAOYSA-N

Cite this record

CBID:71303 http://www.chembase.cn/molecule-71303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(trimethylsilyl)pyridine-4-carbonitrile
IUPAC Traditional name
3-(trimethylsilyl)pyridine-4-carbonitrile
Synonyms
4-Cyano-3-(trimethylsilyl)pyridine
3-(Trimethylsilyl)isonicotinonitrile
3-(Trimethylsilyl)pyridine-4-carbonitrile
4-Cyano-3-(trimethylsilyl)pyridine
4-氰基-3-(三甲基甲硅烷基)吡啶
CAS Number
17379-38-3
MDL Number
MFCD08729284
PubChem SID
162036893
PubChem CID
12180885

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12180885 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1342902  LogD (pH = 7.4) 2.1343 
Log P 2.1343  Molar Refractivity 45.6863 cm3
Polarizability 19.716633 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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