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112-00-5

Basic Information
CAS No.: 112-00-5
Name: 1-Dodecanaminium,N,N,N-trimethyl-, chloride (1:1)
Molecular Structure:
Molecular Structure of 112-00-5 (1-Dodecanaminium,N,N,N-trimethyl-, chloride (1:1))
Formula: C15H34N.Cl
Molecular Weight: 263.95
Synonyms: 1-Dodecanaminium,N,N,N-trimethyl-, chloride (9CI);Ammonium, dodecyltrimethyl-, chloride (8CI);Dodecyltrimethylammonium chloride (6CI);Adogen 412;Aliquat 4;CA 2150;Catinal LTC 35A;Catiogen L;Catiogen TML;Cation BB;Cation FB;DTAC;Dehyquart LT;I 0453;Laurtrimonium chloride;Lauryltrimethylammonium chloride;Lauryltrimonium chloride;Monolauryltrimethylammonium chloride;N,N,N-Trimethyl-1-dodecanaminiumchloride;N-Dodecyl-N,N,N-trimethylammonium chloride;Nissan Cation BB;NissanCation BB 300;Nissan Cation FB;Pionin B 111;Quartamin 24;Trimethyldodecylammonium chloride;Trimethyllaurylammoniumchloride;
EINECS: 203-927-0
Density: 0.9265 (rough estimate)
Melting Point: 237 ºC
Boiling Point: 412.12°C (rough estimate)
Flash Point: 19°C
Solubility: soluble in water
Appearance: Light yellow liquid
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 36/37/38-50-50/53-22-67-11
Safety: 26-61-60-37/39-36
Transport Information: UN 3077 9/PG 3
PSA: 0.00000
LogP: 1.61750
Synthetic route
112-52-7

1-chlorododecane

75-50-3

trimethylamine

112-00-5

trimethyldodecylammonium chloride

Conditions
ConditionsYield
In methanol; ethanol for 24h; Heating;49%
With ethanol at 80 - 90℃;
With water at 80℃;
74-87-3

methylene chloride

112-18-5

N,N-dimethylaminododecane

112-00-5

trimethyldodecylammonium chloride

Conditions
ConditionsYield
With pentane at 60℃;
64-17-5

ethanol

112-52-7

1-chlorododecane

75-50-3

trimethylamine

112-00-5

trimethyldodecylammonium chloride

Conditions
ConditionsYield
analoge Reaktionen mit hoeheren Alkylhalogeniden;

C29H38N6O4*C15H34N(1+)*Cl(1-)

A

112-00-5

trimethyldodecylammonium chloride

B

232279-44-6

Trp-Aib-Gly-Leu-NHPh

Conditions
ConditionsYield
In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation;

C31H42N6O4*C15H34N(1+)*Cl(1-)

A

112-00-5

trimethyldodecylammonium chloride

B

271770-12-8

Trp-Aib-Gly-Leu-NH-C6H3(3,5-Me2)

Conditions
ConditionsYield
In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation;
929-73-7

dodecylammonium chloride

616-38-6

carbonic acid dimethyl ester

112-00-5

trimethyldodecylammonium chloride

Conditions
ConditionsYield
With 1-ethyl-3-methylimidazolium bromide at 169.84℃; for 8h;
124-22-1

n-Dodecylamine

112-00-5

trimethyldodecylammonium chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aqueous ethanol / 60 - 80 °C
2: skellysolve-A / 60 °C
View Scheme
2719-42-8

α,α-dichloro-m-xylene

112-00-5

trimethyldodecylammonium chloride

3335-34-0

3-Methylbenzotrichloride

Conditions
ConditionsYield
With sodium hydroxide In tetrachloromethane; water93.4%
143-66-8

sodium tetraphenyl borate

112-00-5

trimethyldodecylammonium chloride

dodecyltrimethylammonium tetraphenylborate

Conditions
ConditionsYield
In water at 85℃; for 1.16667h;92%

potassium tetrachloroaurate(III) dihydrate

112-00-5

trimethyldodecylammonium chloride

112-55-0

1-dodecylthiol

349490-82-0

[lauryltrimethylammonium][Au(dodecanethiolate)2]

Conditions
ConditionsYield
With sodium methylate In methanol ammonium halide mixed with Au compd. (1:1), suspn. of ammonium chloroaurate treated with thiol (4 equiv.) and NaOMe (4 equiv.); pptd., filtered off, washed (water, MeOH), dried (vac.), elem. anal.;91%
127-65-1

chloroamine-T

112-00-5

trimethyldodecylammonium chloride

C15H34N(1+)*C7H7ClNO2S(1-)

Conditions
ConditionsYield
In water at 5℃; for 5h;86%
67-72-1

hexachloroethane

3335-34-0

3-Methylbenzotrichloride

112-00-5

trimethyldodecylammonium chloride

α,α,α,α'-tetrachloro-m-xylene

Conditions
ConditionsYield
With potassium hydroxide In 1,1,2,2-tetrachloroethylene; water85.2%
112-00-5

trimethyldodecylammonium chloride

106-89-8

epichlorohydrin

100-79-8

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

2,2-dimethyl-4-(2',3'-epoxy) propoxymethyl-1,3-dioxolane

Conditions
ConditionsYield
With potassium hydroxide In hexane78%
acetone glycerol ketal

acetone glycerol ketal

112-00-5

trimethyldodecylammonium chloride

106-89-8

epichlorohydrin

2,2-dimethyl-4-(2',3'-epoxy) propoxymethyl-1,3-dioxolane

Conditions
ConditionsYield
With sodium hydroxide In hexane78%
copper (11) chloride dihydrate

copper (11) chloride dihydrate

tris (triphenylphosphine) ruthenium (11) chloride

tris (triphenylphosphine) ruthenium (11) chloride

872-05-9

1-Decene

112-00-5

trimethyldodecylammonium chloride

693-54-9

Decan-2-one

Conditions
ConditionsYield
In water; ethyl acetate; benzene64%

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

112-00-5

trimethyldodecylammonium chloride

C15H34N(1+)*C119H209BClF2N2O8(1-)

Conditions
ConditionsYield
In 1,4-dioxane Heating;63%

pentacyanocyclopentadienyl anion sodium salt

112-00-5

trimethyldodecylammonium chloride

C10N5(1-)*C15H34N(1+)

Conditions
ConditionsYield
In water for 0.166667h;39%

copper(II) chloride dihydrate

872-05-9

1-Decene

112-00-5

trimethyldodecylammonium chloride

palladium dichloride

693-54-9

Decan-2-one

Conditions
ConditionsYield
In water; ethyl acetate; benzene2%
112-00-5

trimethyldodecylammonium chloride

232279-44-6

Trp-Aib-Gly-Leu-NHPh

C29H38N6O4*C15H34N(1+)*Cl(1-)

Conditions
ConditionsYield
In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation;
112-00-5

trimethyldodecylammonium chloride

271770-12-8

Trp-Aib-Gly-Leu-NH-C6H3(3,5-Me2)

C31H42N6O4*C15H34N(1+)*Cl(1-)

Conditions
ConditionsYield
In chloroform-d1 at 24.84℃; Equilibrium constant; complex formation;
953077-73-1

C18H12N2O5S

112-00-5

trimethyldodecylammonium chloride

C15H34N(1+)*C18H11N2O5S(1-)

Conditions
ConditionsYield
In water; isopropyl alcohol at 80℃; for 2h;

C42H82O17

112-00-5

trimethyldodecylammonium chloride

C15H34N(1+)*C42H81O17(1-)

Conditions
ConditionsYield
With potassium hydroxide In water pH=7;
112-00-5

trimethyldodecylammonium chloride

99318-68-0

3-Methyl-2-nitrobenzal chloride

70018-11-0

2-nitro-3-methyl benzyl chloride

99318-66-8

3-Methyl-2-nitrobenzotrichloride

Conditions
ConditionsYield
With sodium hydroxide In tetrachloromethane; dichloromethane; tert-butyl alcohol
111283-83-1

3-bromomethylthiophene-2-sulfonamide

75-89-8

2,2,2-trifluoroethanol

112-00-5

trimethyldodecylammonium chloride

3-(2,2,2-trifluoroethoxymethyl)-2-thiophenesulfonamide

Conditions
ConditionsYield
With sodium hydroxide In water
112-00-5

trimethyldodecylammonium chloride

dodecyltrimethylammonium tetracarbonylcobaltate

Conditions
ConditionsYield
In sodium hydroxide; toluene the Co-compd. and the chloride are dissolved in a degassed mixt. of 5 MNaOH and toluene under CO, stirring of the soln. for 40 min; removal of the org. phase (syringe) and drying (MgSO4) under CO;

lithium cobalt(III) oxide

112-00-5

trimethyldodecylammonium chloride

[C12H25N(CH3)3]0.4Li0.4CoO2

199533-73-8

[(DPPE)((C6H5)2P(CH2)2P(C6H5)(C6H4))Ru](PF6)

112-00-5

trimethyldodecylammonium chloride

(DPPE)((C6H5)2PCH2CH2P(C6H5)(C6H4))RuCl

Conditions
ConditionsYield
In dichloromethane-d2 room temp.;
112-00-5

trimethyldodecylammonium chloride

dermatan sulfate

dermatan sulfate

dermatan sulfate dodecyltrimethylammonium salt

dermatan sulfate dodecyltrimethylammonium salt

Conditions
ConditionsYield
In water
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  • Dodecyltrimethylammonium chloride CAS 112-00-5  NO.: 112-00-5

  • Casno:

    112-00-5

    Dodecyltrimethylammonium chloride CAS 112-00-5 NO.: 112-00-5

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  • 1-Dodecanaminium,N,N,N-trimethyl-, chloride (1:1)

  • Casno:

    112-00-5

    1-Dodecanaminium,N,N,N-trimethyl-, chloride (1:1)

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Specification

The IUPAC name of Lauryltrimethylammonium chloride is dodecyl(trimethyl)azanium chloride. With the CAS registry number 112-00-5, it is also named as N,N,N-Trimethyl-1-dodecanaminium chloride. The product's categories are Alkylamine Salts & Quarternary Ammonium Salts (Surfactants); Ammonium Chlorides (Quaternary); Cationic Surfactants; Functional Materials; Quaternary Ammonium Compounds; Surfactants; Analytical Chemistry; HPLC Ion-Pair Reagents for Acidic Samples; Ion-Pair Reagents for HPLC; Water Ttreatment Chemicals; Ammonium Salts; Phase Transfer Catalysts. It is light yellow liquid which is hygroscopic and resistant to heat, light, strong acid and alkali. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.39; (8)ACD/KOC (pH 7.4): 55.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Rotatable Bond Count: 11; (13)Exact Mass: 263.237978; (14)MonoIsotopic Mass: 263.237978; (15)Heavy Atom Count: 17; (16)Complexity: 135.

Preparation of Lauryltrimethylammonium chloride: Adding 430kg N,N-dimethyldodecylamine into the reactor, and then adding a certain amount of isopropyl alcohol and water into the reactor. Using alkali as catalyst. After the replacement of the air of pressure vessel, it gradually warming and leading to 111kg monochlorosilane at 0.2 ~ 0.3MPa to react 4h. After cooling to atmospheric pressure, we can get the products.

Uses of Lauryltrimethylammonium chloride: It can be used as catalysts, emulsifiers, fungicides, disinfectants, antistatic agents, cationicsurfactant and so on. And it can react with N-chloro-toluene-4-sulfonamide; sodium salt to get C15H34N1+*C7H7ClNO2S1-. This reaction needs solvent water at temperature of 5 °C. The reaction time is 5 hours. The yield is 86%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, harmful if swallowed and irritating to eyes, respiratory system and skin. Moreover, this chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste. 

People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].C(CCCC[N+](C)(C)C)CCCCCCC
2. InChI:InChI=1/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 300mg/kg (300mg/kg)   National Technical Information Service. Vol. OTS0543823,