chempirical

Tetrabutylammonium hydrogen sulfate

C16H37NO4SCAS 32503-27-8339.53 g/mol

Open in Covalent MOL file
N+OSOO−OH
Quaternary ammonium

Properties

Molecular formula
C16H37NO4S
Molar mass
339.53 g/mol
Exact mass
339.2443 Da
Melting point
170–171 °C
logP
4.01Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
12

Identifiers

CAS number
32503-27-8
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])O
InChIKey
SHFJWMWCIHQNCP-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

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

Names and synonyms

6 names
  • 1-Butanaminium, N,N,N-tributyl-, sulfate (1:1)
  • Tetra-n-butylammonium hydrogen sulfate
  • TBAHS-MB
  • Ammonium, tetrabutyl-, sulfate (1:1)
  • Tetrabutylammonium bisulfate
  • Tetrabutylammonium hydrosulfate

Work with Tetrabutylammonium hydrogen sulfate

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

Tetrahexylammonium hydrogen sulfate32503-34-786 % similar Tetrapropylammonium hydrogen sulfate56211-70-278 % similar Trioctylmethylammonium bisulfate59158-14-464 % similar Cetyltrimethylammonium hydrogen sulfate68214-07-364 % similar Tetraethylammonium hydrogen sulfate16873-13-559 % similar Tetrabutylammonium trifluoromethanesulfonate35895-70-651 % similar Tetramethylammonium hydrogen sulfate80526-82-550 % similar Tetrabutylammonium dihydrogen phosphate5574-97-048 % similar

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

Elsewhere

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