chempirical

Tetrahexylammonium iodide

C24H52INCAS 2138-24-1481.59 g/mol

Open in Covalent MOL file
N+I−
Quaternary ammonium

Properties

Molecular formula
C24H52IN
Molar mass
481.59 g/mol
Exact mass
481.3144 Da
Melting point
101–103 °C
logP
5.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
20

Identifiers

CAS number
2138-24-1
SMILES
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-]
InChIKey
VRKHAMWCGMJAMI-UHFFFAOYSA-M
InChI
InChI=1S/C24H52N.HI/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;/h5-24H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • 1-Hexanaminium, N,N,N-trihexyl-, iodide (1:1)
  • Ammonium, tetrahexyl-, iodide
  • 1-Hexanaminium, N,N,N-trihexyl-, iodide
  • Tetra-n-hexylammonium iodide

Work with Tetrahexylammonium iodide

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

Tetraheptylammonium iodide3535-83-9100 % similar Tetrapentylammonium iodide2498-20-694 % similar Tetra-N-butylammonium iodide311-28-479 % similar Tetraoctylammonium bromide14866-33-271 % similar Tetradecylammonium bromide14937-42-971 % similar Tetrahexylammonium bromide4328-13-671 % similar Tetraheptylammonium bromide4368-51-871 % similar Tetrapentylammonium chloride4965-17-767 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook