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259807-95-9 molecular structure
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2-methyl-6-(tributylstannyl)pyridine

ChemBase ID: 64181
Molecular Formular: C18H33NSn
Molecular Mass: 382.16232
Monoisotopic Mass: 383.16349406
SMILES and InChIs

SMILES:
n1c([Sn](CCCC)(CCCC)CCCC)cccc1C
Canonical SMILES:
CCCC[Sn](c1cccc(n1)C)(CCCC)CCCC
InChI:
InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
InChIKey:
USKQYZHWJZDNCM-UHFFFAOYSA-N

Cite this record

CBID:64181 http://www.chembase.cn/molecule-64181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-6-(tributylstannyl)pyridine
IUPAC Traditional name
2-methyl-6-(tributylstannyl)pyridine
Synonyms
(6-Methylpyridin-2-yl)tributylstannane
2-Methyl-6-(tributylstannyl)pyridine
6-Methyl-2-(tributylstannyl)pyridine
CAS Number
259807-95-9
MDL Number
MFCD07787401
PubChem SID
162029920
PubChem CID
11463183

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11463183 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3180668  LogD (pH = 7.4) 4.572005 
Log P 4.6882  Molar Refractivity 86.6381 cm3
Polarizability 38.595997 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
Toxic/Irritant/Air Sensitive/Moisture Sensitive/Keep Cold/Store under Argon 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

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