chempirical

Tetrabutylammonium trifluoromethanesulfonate

C17H36F3NO3SCAS 35895-70-6391.53 g/mol

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Alkyl halideQuaternary ammoniumSulfonic acid

Properties

Molecular formula
C17H36F3NO3S
Molar mass
391.53 g/mol
Exact mass
391.2368 Da
logP
5.05Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
12

Identifiers

CAS number
35895-70-6
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])C(F)(F)F
InChIKey
YNJQKNVVBBIPBA-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names
  • 1-Butanaminium, N,N,N-tributyl-, trifluoromethanesulfonate (1:1)
  • 1-Butanaminium, N,N,N-tributyl-, salt with trifluoromethanesulfonic acid (1:1)
  • Methanesulfonic acid, trifluoro-, ion(1-), N,N,N-tributyl-1-butanaminium
  • Tetrabutylammonium triflate
  • Tetrabutylammonium trifluoromethylsulfonate
  • Tetra-n-butylammonium trifluoromethanesulfonate

Work with Tetrabutylammonium trifluoromethanesulfonate

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

Similar compounds

Tetraethylammonium trifluoromethanesulfonate35895-69-363 % similar Tetrabutylammonium hydrogen sulfate32503-27-851 % similar Lutetium(III) trifluoromethanesulfonate126857-69-048 % similar Indium(III) trifluoromethanesulfonate128008-30-048 % similar Erbium triflate139177-64-348 % similar Scandium(III) trifluoromethanesulfonate144026-79-948 % similar Barium bis(trifluoromethanesulfonate)2794-60-748 % similar Silver trifluoromethanesulfonate2923-28-648 % similar

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

Elsewhere

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