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223556-07-8 molecular structure
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4-[5-(tributylstannyl)pyridin-2-yl]morpholine

ChemBase ID: 64219
Molecular Formular: C21H38N2OSn
Molecular Mass: 453.24022
Monoisotopic Mass: 454.20060785
SMILES and InChIs

SMILES:
c1(ncc([Sn](CCCC)(CCCC)CCCC)cc1)N1CCOCC1
Canonical SMILES:
CCCC[Sn](c1ccc(nc1)N1CCOCC1)(CCCC)CCCC
InChI:
InChI=1S/C9H11N2O.3C4H9.Sn/c1-2-4-10-9(3-1)11-5-7-12-8-6-11;3*1-3-4-2;/h1,3-4H,5-8H2;3*1,3-4H2,2H3;
InChIKey:
NKRWOTZKCIKRPU-UHFFFAOYSA-N

Cite this record

CBID:64219 http://www.chembase.cn/molecule-64219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[5-(tributylstannyl)pyridin-2-yl]morpholine
IUPAC Traditional name
4-[5-(tributylstannyl)pyridin-2-yl]morpholine
Synonyms
2-Morpholin-4-yl-5-(tributylstannyl)pyridine
2-Morpholino-5-(tributylstannyl)pyridine
CAS Number
223556-07-8
MDL Number
MFCD09025804
PubChem SID
162029958
PubChem CID
16427116

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16427116 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2794878  LogD (pH = 7.4) 4.3554573 
Log P 4.4394  Molar Refractivity 105.5497 cm3
Polarizability 45.329185 Å3 Polar Surface Area 25.36 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
94% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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