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683774-32-5 molecular structure
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6-[2-(trimethylsilyl)ethynyl]quinoline

ChemBase ID: 292793
Molecular Formular: C14H15NSi
Molecular Mass: 225.3611
Monoisotopic Mass: 225.09737602
SMILES and InChIs

SMILES:
C[Si](C)(C)C#Cc1cc2c(cc1)nccc2
Canonical SMILES:
C[Si](C#Cc1ccc2c(c1)cccn2)(C)C
InChI:
InChI=1S/C14H15NSi/c1-16(2,3)10-8-12-6-7-14-13(11-12)5-4-9-15-14/h4-7,9,11H,1-3H3
InChIKey:
HPUIGADZNDDKMJ-UHFFFAOYSA-N

Cite this record

CBID:292793 http://www.chembase.cn/molecule-292793.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[2-(trimethylsilyl)ethynyl]quinoline
IUPAC Traditional name
6-[2-(trimethylsilyl)ethynyl]quinoline
Synonyms
6-((Trimethylsilyl)ethynyl)quinoline
CAS Number
683774-32-5
PubChem SID
180678324
PubChem CID
70700981

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241661 Please log in.
Data Source Data ID
PubChem 70700981 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0887604  LogD (pH = 7.4) 4.13458 
Log P 4.1352  Molar Refractivity 60.2159 cm3
Polarizability 28.070805 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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