Product Name

  • Name

    dodeconium

  • EINECS
  • CAS No. 3818-69-7
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C38H78 N2 O4 . 2 Cl
  • Boiling Point °Cat760mmHg
  • Molecular Weight 697.954
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by parenteral route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3818-69-7 (dodeconium)
  • Hazard Symbols
  • Synonyms Ammonium,hexamethylenebis[(carboxymethyl)dimethyl-, dichloride, didodecyl ester (8CI);Hexamethylenebis[(carboxymethyl)dimethylammonium chloride], didodecyl ester(7CI); Dodeconium;N,N'-Bis(dodecyloxycarbonylmethyl)-N,N,N',N'-tetramethylhexamethylenediammoniumdichloride; Preparation C
  • PSA 52.60000
  • LogP 3.63580

Dodeconium Chemical Properties

Product Name: Dodeconium (CAS NO.3818-69-7)


Molecular Formula: C38H78Cl2N2O4
Molecular Weight: 698.08g/mol
Mol File: 3818-69-7.mol
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Dodeconium (CAS NO.3818-69-7):
  IUPAC Name: (2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride
  Canonical SMILES: CCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCC.[Cl-].[Cl-]
  InChI: InChI=1S/C38H78N2O4.2ClH/c1-7-9-11-13-15-17-19-21-25-29-33-43-37(41)35-39(3,4)31-27-23-24-28-32-40(5,6)36-38(42)44-34-30-26-22-20-18-16-14-12-10-8-2;;/h7-36H2,1-6H3;2*1H/q+2;;/p-2 
  InChIKey: XINQFOMFQFGGCQ-UHFFFAOYSA-L

Dodeconium Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intramuscular 380mg/kg (380mg/kg)   U.S.S.R. Patent Document. Vol. #0891056,
mammal (species unspecified) LD50 intraperitoneal 104mg/kg (104mg/kg)   U.S.S.R. Patent Document. Vol. #0891056,
mammal (species unspecified) LD50 intravenous 60mg/kg (60mg/kg)   U.S.S.R. Patent Document. Vol. #0891056,
mammal (species unspecified) LD50 oral 473mg/kg (473mg/kg)   U.S.S.R. Patent Document. Vol. #0891056,
mammal (species unspecified) LD50 parenteral 104mg/kg (104mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 239, 1970.

Dodeconium Safety Profile

Poison by parenteral route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Cl−.

Dodeconium Specification

 Dodeconium , its CAS NO. is 3818-69-7, the synonyms are 1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-,
dimethochloride, didodecyl ester ; 1,6-Hexanediaminium, N,N'-bis(2-(dodecyloxy)-2-oxoethyl)-N,N,N',N'-tetramethyl-, dichloride ; Hexamethylen-1,6-(N-dimethylcarbodesoxymethyl)ammonium dichloride ; Hexamethylenebis((carboxymethyl)dimethylammonium), dichloride, didodecyl ester ; Preparation C ; 1,6-Hexanediamine, N,N'-bis(2-(dodecyloxy)-2-oxoethyl)-
N,N,N',N'-tetramethyl- ; Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, didodecyl ester .

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