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167556-64-1 molecular structure
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2-methyl-5-(tributylstannyl)pyridine

ChemBase ID: 64864
Molecular Formular: C18H33NSn
Molecular Mass: 382.16232
Monoisotopic Mass: 383.16349406
SMILES and InChIs

SMILES:
c1c(ncc(c1)[Sn](CCCC)(CCCC)CCCC)C
Canonical SMILES:
CCCC[Sn](c1ccc(nc1)C)(CCCC)CCCC
InChI:
InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3;
InChIKey:
GQSHSSUYFVJPOO-UHFFFAOYSA-N

Cite this record

CBID:64864 http://www.chembase.cn/molecule-64864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-(tributylstannyl)pyridine
IUPAC Traditional name
2-methyl-5-(tributylstannyl)pyridine
Synonyms
2-Methyl-5-(tributylstannyl)pyridine
CAS Number
167556-64-1
MDL Number
MFCD12827559
PubChem SID
162030603
PubChem CID
18329363

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 18329363 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3060403  LogD (pH = 7.4) 3.9674928 
Log P 3.9896  Molar Refractivity 86.3246 cm3
Polarizability 38.595715 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 10  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
TSCA Listed
false expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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