chempirical

Tetrahexylammonium hydrogen sulfate

C24H53NO4SCAS 32503-34-7451.75 g/mol

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

Properties

Molecular formula
C24H53NO4S
Molar mass
451.75 g/mol
Exact mass
451.3695 Da
Melting point
97–98 °C
logP
7.13Crippen estimate
Polar surface area
77.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
20

Identifiers

CAS number
32503-34-7
SMILES
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.O=S(=O)([O-])O
InChIKey
RULHPTADXJPDSN-UHFFFAOYSA-M
InChI
InChI=1S/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(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

5 names
  • 1-Hexanaminium, N,N,N-trihexyl-, sulfate (1:1)
  • Ammonium, tetrahexyl-, sulfate (1:1)
  • Hydrogen tetrahexylammonium sulfate
  • Tetrahexylammonium bisulfate
  • Tetra(n-hexyl)ammonium hydrogen sulfate

Work with Tetrahexylammonium 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

Tetrabutylammonium hydrogen sulfate32503-27-886 % similar Trioctylmethylammonium bisulfate59158-14-475 % similar Cetyltrimethylammonium hydrogen sulfate68214-07-375 % similar Tetrapropylammonium hydrogen sulfate56211-70-272 % similar Tetraethylammonium hydrogen sulfate16873-13-555 % similar Tetraoctylammonium bromide14866-33-250 % similar Tetradecylammonium bromide14937-42-950 % similar Tetrahexylammonium iodide2138-24-150 % similar

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

Elsewhere

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