Benzyldimethylstearylammonium chloride is a quaternary ammonium compound with no embryotoxicity.

Physicochemical Properties

Molecular Formula	C27H50CLN
Molecular Weight	424.15
Exact Mass	423.363
CAS #	122-19-0
Related CAS #	37612-69-4 (Parent)
PubChem CID	31204
Appearance	White to off-white solid powder
Density	0.98
Boiling Point	100ºC
Melting Point	54-56ºC
Flash Point	94ºC
LogP	5.528
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	19
Heavy Atom Count	29
Complexity	316
Defined Atom Stereocenter Count	0
InChi Key	SFVFIFLLYFPGHH-UHFFFAOYSA-M
InChi Code	InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1
Chemical Name	benzyl-dimethyl-octadecylazanium;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 (e.g. under nitrogen), avoid exposure to moisture and light.
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

Toxicity/Toxicokinetics	Toxicity Data LC50 (rat) = 3,280 mg/m3/4h Non-Human Toxicity Values LD50 Rat oral 1250 mg/kg LD50 Rat ip 280 mg/kg LD50 Mouse oral 760 mg/kg LD50 Mouse ip 175 mg/kg LD50 Guinea pig oral 500 mg/kg
References	[1]. Absence of embryotoxic effects in rats with three quaternary ammonium compounds (cationic surfactants). Toxicology. Mar-Apr 1983;26(3-4):313-5.
Additional Infomation	Benzyldimethyloctadecylammonium chloride appears as white solid or thick liquid with a mild odor. (USCG, 1999)

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (294.71 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.90 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 20.8 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: ≥ 2.08 mg/mL (4.90 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (4.90 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 20.8 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	2.3577 mL	11.7883 mL	23.5766 mL
	5 mM	0.4715 mL	2.3577 mL	4.7153 mL
	10 mM	0.2358 mL	1.1788 mL	2.3577 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.