chempirical

Tetrabutylammonium bromide

C16H36BrNCAS 1643-19-2322.37 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C16H36BrN
Molar mass
322.37 g/mol
Exact mass
321.2031 Da
Melting point
117–118 °C
logP
2.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Identifiers

CAS number
1643-19-2
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
InChIKey
JRMUNVKIHCOMHV-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

11 names
  • 1-Butanaminium, N,N,N-tributyl-, bromide (1:1)
  • Ammonium, tetrabutyl-, bromide
  • 1-Butanaminium, N,N,N-tributyl-, bromide
  • Tetra-n-butylammonium bromide
  • AP 6G
  • TBAB
  • Aliquat 100
  • Actiron 43-65
  • Mastermix MB 4988
  • TBAB 50A
  • TBABr

Work with Tetrabutylammonium 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 bromide14866-33-279 % similar Tetradecylammonium bromide14937-42-979 % similar Tetrahexylammonium bromide4328-13-679 % similar Tetraheptylammonium bromide4368-51-879 % similar (1-Butyl)triethylammonium bromide13028-69-875 % similar Tetrabutylammonium chloride1112-67-068 % similar Tetrabutylammonium hydroxide2052-49-568 % similar Tetra-N-butylammonium iodide311-28-468 % similar

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

Elsewhere

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