Decamethonium bromide

C16H38Br2N2CAS 541-22-0418.30 g/mol

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

Properties

Molecular formula
C16H38Br2N2
Molar mass
418.30 g/mol
Exact mass
416.1402 Da
Melting point
268–270 °C (decomposes)
Water solubility
≥ 100 g/L (18.9 °C)
logP
-2.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
541-22-0
SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIKey
HLXQFVXURMXRPU-UHFFFAOYSA-L
InChI
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2

Weigh it out

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

Names and synonyms

11 names
  • 1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-hexamethyl-, bromide (1:2)
  • Ammonium, decamethylenebis[trimethyl-, dibromide
  • 1,10-Decanediaminium, N,N,N,N′,N′,N′-hexamethyl-, dibromide
  • Ammonium, decamethylenebis[trimethyl- bromide]
  • C 10 (Onium compound)
  • Decamethonium dibromide
  • Decamethylenebis[trimethylammonium bromide]
  • Decamethylene-1,10-bistrimethylammonium dibromide
  • Syncurine
  • Decacuran
  • C 10

Work with Decamethonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Decamethylenebis(trimethylammonium) iodide1420-40-2Salt

Similar compounds

Hexamethonium bromide55-97-0100 % 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 (5-Bromopentyl)trimethylammonium bromide15008-33-071 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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