chempirical

Tributylmethylammonium bis(trifluoromethylsulfonyl)imide

C15H30F6N2O4S2CAS 405514-94-5480.53 g/mol

Open in Covalent MOL file
N+FFFSOON−SOOFFF
Alkyl halideQuaternary ammonium

Properties

Molecular formula
C15H30F6N2O4S2
Molar mass
480.53 g/mol
Exact mass
480.1551 Da
logP
4.89Crippen estimate
Polar surface area
82.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

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
405514-94-5
SMILES
CCCC[N+](C)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIKey
XALVHDZWUBSWES-UHFFFAOYSA-N
InChI
InChI=1S/C13H30N.C2F6NO4S2/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-13H2,1-4H3;/q+1;-1

Weigh it out

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

Work with Tributylmethylammonium 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 Methyltributylammonium chloride56375-79-2Salt 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt Tributylmethylammonium bromide37026-88-3Salt 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

Similar compounds

Tetrabutylammonium trifluoromethanesulfonate35895-70-645 % similar 1-Butyl-1-methylpyrrolidinium hexafluorophosphate330671-29-944 % similar 1-Butyl-1-methylpyrrolidinium bromide93457-69-344 % similar Trioctylmethylammonium bisulfate59158-14-440 % similar Trioctylmethylammonium chloride5137-55-339 % similar Tridodecylmethylammonium chloride7173-54-839 % similar Tetrabutylammonium hydrogen sulfate32503-27-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook