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1245816-23-2 molecular structure
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8-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine

ChemBase ID: 65184
Molecular Formular: C18H31N3Sn
Molecular Mass: 408.15984
Monoisotopic Mass: 409.15399201
SMILES and InChIs

SMILES:
c1ccn2c(c1[Sn](CCCC)(CCCC)CCCC)ncn2
Canonical SMILES:
CCCC[Sn](c1cccn2c1ncn2)(CCCC)CCCC
InChI:
InChI=1S/C6H4N3.3C4H9.Sn/c1-2-4-9-6(3-1)7-5-8-9;3*1-3-4-2;/h1-2,4-5H;3*1,3-4H2,2H3;
InChIKey:
XDWNLVZJFSXJMO-UHFFFAOYSA-N

Cite this record

CBID:65184 http://www.chembase.cn/molecule-65184.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine
IUPAC Traditional name
8-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine
Synonyms
8-Tributylstannyl[1,2,4]triazolo[1,5-a]pyridine
CAS Number
1245816-23-2
MDL Number
MFCD17015012
PubChem SID
162030923
PubChem CID
46840014

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 46840014 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 102.5837 cm3 Polarizability 39.835377 Å3
Polar Surface Area 30.19 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 4.464663 
LogD (pH = 7.4) 4.466181  Log P 4.4662 

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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