Product Name

  • Name

    Didodecyl dimethyl ammonium chloride

  • EINECS 222-274-2
  • CAS No. 3401-74-9
  • Article Data7
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 65-69°C(lit.)
  • Formula C26H56N.Cl
  • Boiling Point
  • Molecular Weight 418.19
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R36/37/38
  • Molecular Structure Molecular Structure of 3401-74-9 (Didodecyl dimethyl ammonium chloride)
  • Hazard Symbols Xi
  • Synonyms 1-Dodecanaminium,N-dodecyl-N,N-dimethyl-, chloride (9CI);Ammonium, didodecyldimethyl-, chloride(8CI);Didodecyldimethylammonium chloride (6CI,7CI);Dimethyldidodecylammonium chloride;Dimethyldilaurylammonium chloride;Isothan DL;
  • PSA 0.00000
  • LogP 5.90860

Synthetic route

methylene chloride
74-87-3

methylene chloride

N-methyldidodecylamine
2915-90-4

N-methyldidodecylamine

N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

Conditions
ConditionsYield
With ethyl acetate at 80℃;
N,N-dimethylaminododecane
112-18-5

N,N-dimethylaminododecane

1-chlorododecane
112-52-7

1-chlorododecane

N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

Conditions
ConditionsYield
In ethanol for 96h; Heating;
In ethanol
In acetonitrile Reflux;
N,N-didodecyl-N,N-dimethylammonium bromide
3282-73-3

N,N-didodecyl-N,N-dimethylammonium bromide

N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / ethanol / 0.25 h / 20 °C
2: hydrogenchloride / water / 24 h / Inert atmosphere
View Scheme
didodecyldimethylammonium hydroxide
23381-53-5

didodecyldimethylammonium hydroxide

N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

Conditions
ConditionsYield
With hydrogenchloride In water for 24h; Inert atmosphere;
3,6-dichloro-O-anisic acid
1918-00-9

3,6-dichloro-O-anisic acid

N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

didodecyldimethylammonium 3,6-dichloro-2-methoxybenzoate
1354726-23-0

didodecyldimethylammonium 3,6-dichloro-2-methoxybenzoate

Conditions
ConditionsYield
With sodium hydroxide In water at 20 - 50℃; for 12h;78%
CH(COC4H3NC6H2(O(CH2)15CH3)3)2BF2

CH(COC4H3NC6H2(O(CH2)15CH3)3)2BF2

N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

C26H56N(1+)*C119H209BClF2N2O8(1-)

C26H56N(1+)*C119H209BClF2N2O8(1-)

Conditions
ConditionsYield
In 1,4-dioxane Heating;74%
pentacyanocyclopentadienyl anion sodium salt

pentacyanocyclopentadienyl anion sodium salt

N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

C10N5(1-)*C26H56N(1+)

C10N5(1-)*C26H56N(1+)

Conditions
ConditionsYield
In water for 0.166667h;39%
N,N-dimethyl-N,N-didodecylammonium chloride
3401-74-9

N,N-dimethyl-N,N-didodecylammonium chloride

C26H56N(1+)*F(1-)

C26H56N(1+)*F(1-)

Conditions
ConditionsYield
With potassium fluoride In methanol at 20℃; for 0.25h;

Didodecyl dimethyl ammonium chloride Specification

The Didodecyl dimethyl ammonium chloride, with CAS registry number 3401-74-9, has the systematic name of N-dodecyl-N,N-dimethyldodecan-1-aminium chloride. Besides this, it is also called didodecyl(dimethyl)azanium chloride. And the chemical formula of this chemical is C26H56N.Cl. What's more, its EINECS is 222-274-2.

Physical properties of Didodecyl dimethyl ammonium chloride: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 979.88; (6)ACD/BCF (pH 7.4): 979.88; (7)ACD/KOC (pH 5.5): 4815.94; (8)ACD/KOC (pH 7.4): 4815.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 0 Å2. 

The main use of this chemical is for the asphalt emulsifier, the mineral flotation, the disinfectors and the emulsifier. And this chemical can be prepared by N-methyldidodecylamine and chloromethane. This reaction is a quaternarization action.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].C(CCCCC[N+](C)(CCCCCCCCCCCC)C)CCCCCC
(2)InChI: InChI=1/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: WLCFKPHMRNPAFZ-REWHXWOFAE
(4)Std. InChI: InChI=1S/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: WLCFKPHMRNPAFZ-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   French Medicament Patent Document. Vol. #4264M,
mouse LD50 oral 2gm/kg (2000mg/kg)   French Medicament Patent Document. Vol. #4264M,

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