chempirical

Decyltrimethylammonium bromide

C13H30BrNCAS 2082-84-0280.29 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C13H30BrN
Molar mass
280.29 g/mol
Exact mass
279.1562 Da
Melting point
233–235 °C
logP
0.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
2082-84-0
SMILES
CCCCCCCCCC[N+](C)(C)C.[Br-]
InChIKey
PLMFYJJFUUUCRZ-UHFFFAOYSA-M
InChI
InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;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-Decanaminium, N,N,N-trimethyl-, bromide (1:1)
  • Ammonium, decyltrimethyl-, bromide
  • 1-Decanaminium, N,N,N-trimethyl-, bromide
  • n-Decyltrimethylammonium bromide
  • N,N,N-Trimethyl-1-decanaminium bromide
  • N,N,N-Trimethyldecylammonium bromide
  • DTAB
  • FSM 20
  • Trimethyldecylammonium bromide
  • DeTAB
  • N-Decyl-N,N,N-trimethylammonium bromide

Work with Decyltrimethylammonium 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

Dodecyltrimethylammonium bromide1119-94-4100 % similar Tetradecyltrimethylammonium bromide1119-97-7100 % similar Octadecyltrimethylammonium bromide1120-02-1100 % similar Octyltrimethylammonium bromide2083-68-3100 % similar Cetrimonium bromide57-09-0100 % similar Decamethonium bromide541-22-075 % similar Hexamethonium bromide55-97-075 % similar Caprylyltrimethylammonium chloride10108-86-874 % similar

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

Same formula

Tributylmethylammonium bromide37026-88-3

Elsewhere

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