N-Benzyl-N,N-dimethyldodecan-1-aminium bromide, also known as benzalkonium chloride (BAC), is a quaternary ammonium compound extensively used as an antibacterial agent and surfactant in various industries. BAC is extensively used as a disinfectant and antiseptic in a variety of products such as hand sanitizer, disinfectant wipes, and eye drops. Its ability to kill bacteria, viruses, and fungi makes it an effective tool in preventing the spread of infection. BAC is also used in the food industry as a preservative and disinfectant. It is added to food packaging and processing equipment to prevent the growth of microorganisms and increase the shelf life of food. Additionally, BAC is found in many household products, such as cleaning solutions, fabric softeners, and personal care products. Its surfactant properties allow it to be used to reduce surface tension and increase the effectiveness of cleaning agents. Although BAC is extensively used, it can cause skin irritation and other adverse effects if ingested or exposed to high concentrations.

Physicochemical Properties

Molecular Formula	C21H38BRN
Molecular Weight	384.44
Exact Mass	383.218
CAS #	7281-04-1
Related CAS #	Benzyldodecyldimethylammonium-d5 bromide
PubChem CID	23705
Appearance	Colorless to off-white <38°C solid powder,>43°C liquid
Melting Point	50-55 °C
Flash Point	110 °C
LogP	3.187
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Heavy Atom Count	23
Complexity	240
Defined Atom Stereocenter Count	0
SMILES	[Br-].[N+](C([H])([H])[H])(C([H])([H])[H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChi Key	KHSLHYAUZSPBIU-UHFFFAOYSA-M
InChi Code	InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
Chemical Name	benzyl-dodecyl-dimethylazanium;bromide
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

A biochemical reagent called N-Benzyl-N,N-dimethyldodecan-1-aminium bromide can be utilized in life science research as an organic substance or biological material.

Additional Infomation

Benzododecinium bromide is the organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties. It has a role as a surfactant, an antiseptic drug and a disinfectant. It is a quaternary ammonium salt and an organic bromide salt. It contains a benzododecinium. See also: Benzododecinium (has active moiety); Benzododecinium bromide; methenamine (component of); Benzalkonium bromide (annotation moved to).

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (260.12 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.50 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6012 mL	13.0059 mL	26.0119 mL
	5 mM	0.5202 mL	2.6012 mL	5.2024 mL
	10 mM	0.2601 mL	1.3006 mL	2.6012 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.