1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide

C₁₂H₂₂F₆N₂O₄S₂CAS 623580-02-9436.43 g/mol

Open in Covalent MOL file

Alkyl halide Quaternary ammonium

Properties

Molecular formula: C₁₂H₂₂F₆N₂O₄S₂
Molar mass: 436.43 g/mol
Exact mass: 436.0925 Da
logP: 3.48Crippen estimate
Polar surface area: 82.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

623580-02-9

SMILES

CCCC[N+]1(CCCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChIKey

ZDMWZUAOSLBMEY-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N.C2F6NO4S2/c1-3-4-8-11(2)9-6-5-7-10-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bistriflimide82113-65-3Free acid Lithium bis(trifluoromethanesulfonyl)imide90076-65-6Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-4Salt 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-6Salt 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-2Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt 1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-6Salt Sliver bis(trifluoromethane sulfonimide)189114-61-2Salt 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide174899-90-2Salt

Similar compounds

1-Butyl-1-methylpyrrolidinium hexafluorophosphate330671-29-946 % similar 1-Butyl-1-methylpyrrolidinium bromide93457-69-346 % similar Trioctylmethylammonium bisulfate59158-14-445 % similar Trioctylmethylammonium chloride5137-55-344 % similar Tridodecylmethylammonium chloride7173-54-844 % similar Tetrabutylammonium trifluoromethanesulfonate35895-70-643 % similar Tributylmethylammonium bromide37026-88-343 % similar Methyltributylammonium chloride56375-79-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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