chempirical

Tetradecylammonium bromide

C40H84BrNCAS 14937-42-9659.02 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C40H84BrN
Molar mass
659.02 g/mol
Exact mass
657.5787 Da
logP
11.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
36

Identifiers

CAS number
14937-42-9
SMILES
CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]
InChIKey
AHNISXOXSNAHBZ-UHFFFAOYSA-M
InChI
InChI=1S/C40H84N.BrH/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;/h5-40H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names
  • 1-Decanaminium, N,N,N-tris(decyl)-, bromide (1:1)
  • Ammonium, tetrakis(decyl)-, bromide
  • 1-Decanaminium, N,N,N-tris(decyl)-, bromide
  • Tetrakis(decyl)ammonium bromide
  • Tetra-n-decylammonium bromide
  • Terakis(decyl)ammonium bromide

Work with Tetradecylammonium 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

Tetraoctylammonium bromide14866-33-2100 % 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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