61546-00-7 Purity
>98.0%(T)(HPLC)
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Specification
The molecular formula is C12H23ClN2.
Synonyms include 64697-40-1, 1-Methyl-3-octylimidazolium chloride, 1-Methyl-3-n-octylimidazolium Chloride, and more.
It was created on 2005-07-19 and modified on 2023-12-30.
The IUPAC name is 1-methyl-3-octylimidazol-1-ium chloride.
The Canonical SMILES is CCCCCCCCN1C=C[N+](=C1)C.[Cl-].
The molecular weight is 230.78 g/mol.
The component compounds are Hydrochloric Acid and 1-Octyl-3-methylimidazolium.
The CAS number is 64697-40-1.
The topological polar surface area is 8.8 Ų.
There are 7 rotatable bonds in the structure.
Reference: [1]Tetrahedron,2010,vol. 66,p. 1352 - 1356
Reference: [1]Green Chemistry,2013,vol. 15,p. 1341 - 1347
[2]Tetrahedron Letters,2002,vol. 43,p. 5381 - 5383
[3]Journal of the Chemical Society, Dalton Transactions,1999,p. 2133 - 2139
[4]Synthesis,2006,p. 2543 - 2550
[5]Journal of Chemical and Engineering Data,2010,vol. 55,p. 1768 - 1773
* For details of the synthesis route, please refer to the original source to ensure accuracy.