Decamethylenebis(trimethylammonium) iodide

C16H38I2N2CAS 1420-40-2512.30 g/mol

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

Properties

Molecular formula
C16H38I2N2
Molar mass
512.30 g/mol
Exact mass
512.1124 Da
Melting point
231 °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)

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
1420-40-2
SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
InChIKey
ARMLJSXXXFXSLQ-UHFFFAOYSA-L
InChI
InChI=1S/C16H38N2.2HI/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

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Names and synonyms

12 names
  • 1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-hexamethyl-, iodide (1:2)
  • Ammonium, decamethylenebis[trimethyl-, diiodide
  • 1,10-Decanediaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide
  • Ammonium, decamethylenebis[trimethyl- iodide]
  • Decamethonium iodide
  • Eulissin A
  • Procuran
  • Eulixine
  • Decamethionium iodide
  • Decamethonium diiodide
  • Decamethylenebis(trimethylammonium) diiodide
  • N1,N1,N1,N10,N10,N10-Hexamethyldecane-1,10 diaminium iodide

Work with Decamethylenebis(trimethylammonium) iodide

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.

Decamethonium bromide541-22-0Salt

Similar compounds

Hexamethonium bromide55-97-067 % similar Choline iodide17773-10-352 % similar Caprylyltrimethylammonium chloride10108-86-852 % similar Decyltrimethylammonium chloride10108-87-952 % similar Dodecyltrimethylammonium bromide1119-94-452 % similar Tetradecyltrimethylammonium bromide1119-97-752 % similar Dodecyltrimethylammonium chloride112-00-552 % similar Cetrimonium chloride112-02-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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