chempirical

Hexamethonium bromide

C12H30Br2N2CAS 55-97-0362.19 g/mol

Open in Covalent MOL file
N+N+Br−Br−
Quaternary ammonium

Properties

Molecular formula
C12H30Br2N2
Molar mass
362.19 g/mol
Exact mass
360.0776 Da
Melting point
274–276 °C
logP
-4.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
55-97-0
SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIKey
FAPSXSAPXXJTOU-UHFFFAOYSA-L
InChI
InChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2

Weigh it out

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

Names and synonyms

24 names · show all
  • 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, bromide (1:2)
  • Ammonium, hexamethylenebis[trimethyl-, dibromide
  • 1,6-Hexanediaminium, N,N,N,N′,N′,N′-hexamethyl-, dibromide
  • Hexamethylenebis[trimethylammonium bromide]
  • C 6
  • Esametina
  • Gangliostat
  • Hexamethonium dibromide
  • Hexameton
  • Hexonium dibromide
  • Simpatoblock
  • Vegolysen
  • Vegolysin
  • Methobromine
  • N,N,N,N′,N′,N′-Hexamethyl(hexamethylene)diammonium bromide
  • Hexamethylenebis(trimethylammonium) dibromide
  • 1,6-Hexanebis(trimethylammonium) dibromide
  • Methobromin
  • Hexameton bromide
  • Bistrium bromide
  • Hexanium bromide
  • 1,6-Bis(trimethylammonium)hexane dibromide
  • Hexane-1,6-bis(trimethylammonium bromide)
  • Hexamethone bromide

Work with Hexamethonium 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

Decamethonium bromide541-22-0100 % similar Dodecyltrimethylammonium bromide1119-94-475 % similar Tetradecyltrimethylammonium bromide1119-97-775 % similar Octadecyltrimethylammonium bromide1120-02-175 % similar Decyltrimethylammonium bromide2082-84-075 % similar Octyltrimethylammonium bromide2083-68-375 % similar Cetrimonium bromide57-09-075 % similar Decamethylenebis(trimethylammonium) iodide1420-40-267 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook