chempirical

Benzododecinium bromide

C21H38BrNCAS 7281-04-1384.45 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C21H38BrN
Molar mass
384.45 g/mol
Exact mass
383.2188 Da
Melting point
38–43 °C
logP
3.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
13

Identifiers

CAS number
7281-04-1
SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-]
InChIKey
KHSLHYAUZSPBIU-UHFFFAOYSA-M
InChI
InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

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

Names and synonyms

27 names · show all
  • Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1)
  • Ammonium, benzyldodecyldimethyl-, bromide
  • Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide
  • Benzyldodecyldimethylammonium bromide
  • Dimethyllaurylbenzylammonium bromide
  • Sterinol
  • Dodecylbenzyldimethylammonium bromide
  • Dimethylbenzyllaurylammonium bromide
  • Dodecyldimethylbenzylammonium bromide
  • Benzyllauryldimethylammonium bromide
  • Dimethylbenzyldodecylammonium bromide
  • Amonyl BR 1244
  • Lauryldimethylbenzylammonium bromide
  • Sinnoquat BL 80
  • Sinnoquat BL 95
  • N-Benzyl-N,N-dimethyl-N-dodecylammonium bromide
  • Bacfor BL
  • Benzyldimethyldodecylammonium bromide
  • Cequartyl 50
  • AACL 6
  • Dimethyldodecylbenzylammonium bromide
  • N,N-Dimethyl-N-benzyldodecylammonium bromide
  • Benzyldimethyllaurylammonium bromide
  • N,N-Dimethyl-N-dodecylbenzylammonium bromide
  • Xinjieermie
  • Lauralkonium bromide
  • Benzalkonium bromide(C12)

Work with Benzododecinium 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

Cetalkonium chloride122-18-982 % similar Stearalkonium chloride122-19-082 % similar Benzyldodecyldimethylammonium chloride139-07-182 % similar Benzyldimethyltetradecylammonium chloride139-08-282 % similar Benzyltributylammonium bromide25316-59-061 % similar Domiphen bromide538-71-661 % similar Didecyl dimethyl ammonium bromide2390-68-359 % similar Didodecyldimethylammonium bromide3282-73-359 % similar

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

Same formula

Cetylpyridinium bromide140-72-7

Elsewhere

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