CAS No.3401-74-9,Didodecyl dimethyl ammonium chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3401-74-9
Name:	Didodecyl dimethyl ammonium chloride
Article Data:	7

Formula:	C₂₆H₅₆N^.Cl
Molecular Weight:	418.19
Synonyms:	1-Dodecanaminium,N-dodecyl-N,N-dimethyl-, chloride (9CI);Ammonium, didodecyldimethyl-, chloride(8CI);Didodecyldimethylammonium chloride (6CI,7CI);Dimethyldidodecylammonium chloride;Dimethyldilaurylammonium chloride;Isothan DL;
EINECS:	222-274-2
Melting Point:	65-69°C(lit.)
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	0.00000
LogP:	5.90860

Synthetic route

: 74-87-3
methylene chloride

: 2915-90-4
N-methyldidodecylamine

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

Conditions

Conditions	Yield
With ethyl acetate at 80℃;

: 112-18-5
N,N-dimethylaminododecane

: 112-52-7
1-chlorododecane

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

Conditions

Conditions	Yield
In ethanol for 96h; Heating;
In ethanol
In acetonitrile Reflux;

: 3282-73-3
N,N-didodecyl-N,N-dimethylammonium bromide

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

Conditions

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

: 23381-53-5
didodecyldimethylammonium hydroxide

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

Conditions

Conditions	Yield
With hydrogenchloride In water for 24h; Inert atmosphere;

: 1918-00-9
3,6-dichloro-O-anisic acid

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

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

Conditions

Conditions	Yield
With sodium hydroxide In water at 20 - 50℃; for 12h;	78%

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

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

: C26H56N(1+)*C119H209BClF2N2O8(1-)

Conditions

Conditions	Yield
In 1,4-dioxane Heating;	74%

: pentacyanocyclopentadienyl anion sodium salt

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

: C10N5(1-)*C26H56N(1+)

Conditions

Conditions	Yield
In water for 0.166667h;	39%

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

: C26H56N(1+)*F(1-)

Conditions

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

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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,