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Name |
Didodecyl dimethyl ammonium chloride |
EINECS | 222-274-2 |
CAS No. | 3401-74-9 | Density | N/A |
PSA | 0.00000 | LogP | 5.90860 |
Solubility | N/A | Melting Point |
65-69°C(lit.) |
Formula | C26H56N.Cl | Boiling Point | N/A |
Molecular Weight | 418.19 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R36/37/38 | |
Molecular Structure | 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; |
Article Data | 7 |
methylene chloride
N-methyldidodecylamine
N,N-dimethyl-N,N-didodecylammonium chloride
Conditions | Yield |
---|---|
With ethyl acetate at 80℃; |
N,N-dimethylaminododecane
1-chlorododecane
N,N-dimethyl-N,N-didodecylammonium chloride
Conditions | Yield |
---|---|
In ethanol for 96h; Heating; | |
In ethanol | |
In acetonitrile Reflux; |
N,N-didodecyl-N,N-dimethylammonium bromide
N,N-dimethyl-N,N-didodecylammonium chloride
Conditions | Yield |
---|---|
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
N,N-dimethyl-N,N-didodecylammonium chloride
Conditions | Yield |
---|---|
With hydrogenchloride In water for 24h; Inert atmosphere; |
3,6-dichloro-O-anisic acid
N,N-dimethyl-N,N-didodecylammonium chloride
didodecyldimethylammonium 3,6-dichloro-2-methoxybenzoate
Conditions | Yield |
---|---|
With sodium hydroxide In water at 20 - 50℃; for 12h; | 78% |
N,N-dimethyl-N,N-didodecylammonium chloride
Conditions | Yield |
---|---|
In 1,4-dioxane Heating; | 74% |
N,N-dimethyl-N,N-didodecylammonium chloride
Conditions | Yield |
---|---|
In water for 0.166667h; | 39% |
N,N-dimethyl-N,N-didodecylammonium chloride
Conditions | Yield |
---|---|
With potassium fluoride In methanol at 20℃; for 0.25h; |
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, |