2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
Benzalkonium chloride
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | benzyl-dimethyl-tridecylazanium chloride | |
|---|---|---|
| CAS Number | 63449-41-2, 8001-54-5 | |
| Molecular Formula | ||
| SMILES | CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] | |
| InChIKey | XIWFQDBQMCDYJT-UHFFFAOYSA-M |
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
51 mg/mL
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | 20 mg/mL |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.