chempirical

Tetraoctylammonium bromide

C32H68BrNCAS 14866-33-2546.81 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C32H68BrN
Molar mass
546.81 g/mol
Exact mass
545.4535 Da
Melting point
98 °C
logP
8.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
28

Identifiers

CAS number
14866-33-2
SMILES
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]
InChIKey
QBVXKDJEZKEASM-UHFFFAOYSA-M
InChI
InChI=1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/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-Octanaminium, N,N,N-trioctyl-, bromide (1:1)
  • Ammonium, tetraoctyl-, bromide
  • 1-Octanaminium, N,N,N-trioctyl-, bromide
  • Tetra(n-octyl)ammonium bromide
  • TOAB

Work with Tetraoctylammonium bromide

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

Tetradecylammonium bromide14937-42-9100 % similar Tetrahexylammonium bromide4328-13-6100 % similar Tetraheptylammonium bromide4368-51-8100 % similar Tetrabutylammonium bromide1643-19-279 % similar Tetrahexylammonium iodide2138-24-171 % similar Tetraheptylammonium iodide3535-83-971 % similar Tetrapentylammonium iodide2498-20-667 % similar Tetrapentylammonium chloride4965-17-767 % similar

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

Elsewhere

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