Diallyldimethylammonium chloride is a quaternary ammonium compound that belongs to the alkylammonium salts. This compound is extensively used as a cationic monomer in the production of water-soluble polymers, particularly in the manufacture of flocculants and coagulants for water treatment processes. In addition, it could be utilized as an antimicrobial compound, surfactant or adhesive in various industrial applications. Its unique chemical properties make it an important ingredient in a variety of industrial processes such as paper, textiles and personal care products.

Physicochemical Properties

Molecular Formula	C8H16CLN
Molecular Weight	161.67
Exact Mass	161.097
CAS #	7398-69-8
Related CAS #	26062-79-3;28301-34-0 (Parent)
PubChem CID	33286
Appearance	Solid
Density	(25ºC)=1.04
Boiling Point	100ºC
Melting Point	140-148 °C
Index of Refraction	n20/D 1.460
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	10
Complexity	91.1
Defined Atom Stereocenter Count	0
SMILES	C=CC[N+](C)(C)CC=C.[Cl-]
InChi Key	GQOKIYDTHHZSCJ-UHFFFAOYSA-M
InChi Code	InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
Chemical Name	dimethyl-bis(prop-2-enyl)azanium;chloride
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Diallyldimethylammonium chloride (60 percent in water) is a biochemical reagent that can be utilized in research pertaining to life sciences as an organic compound or biological material.
ADME/Pharmacokinetics	Absorption, Distribution and Excretion Male albino rats were placed in metabolism cages. Following intubation with 14-C diallyldimethylammonium chloride (DADMAC), one animal per time point, urine and feces were collected at 24, 48 and 72 hours. Animals were treated with 656 mg/kg (24 hours); 1585 mg/kg (48 hours) or 1591 mg/kg (72 hours) of 14-C DADMAC (100 microcuries/mL: 100 microcuries/0.9 grams. purity unspecified). Carcasses were frozen and radioactivity determined later in blood, spleen, liver, kidneys, bone marrow, and three sections of gastrointestinal tract. Carcasses, after removal of skin and feet were homogenized and radioactivity determined. While this study has marked deficiencies, it demonstrates that DADMAC is poorly absorbed. No change in clinical signs was observed in the treated animals. There was a slight weight loss in the study. The primary route of excretion for 14-C derived from DADMAC monomer was feces. ...The tissue levels for monomer were very low at each time point and there was no accumulation in any organ. The highest concentration of any organ was liver at 24 hours which had 0.0034% of the administered radioactivity. DADMAC was poorly absorbed. Of the tissues studied, the liver was found to have the largest percent uptake. The principal route of excretion was via the feces followed by the urinary pathway with a very low amount being excreted via the expired air. The largest elimination was observed to occur during the first 24 hours.
Toxicity/Toxicokinetics	Non-Human Toxicity Values LD50 Rat (Wistar) oral 3930 mg/kg LD50 Rat (Sprague-Dawley) oral 2520 mg/kg
Additional Infomation	See also: Polyquaternium-6 (15000 MW) (annotation moved to).

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.1854 mL	30.9272 mL	61.8544 mL
	5 mM	1.2371 mL	6.1854 mL	12.3709 mL
	10 mM	0.6185 mL	3.0927 mL	6.1854 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.