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| Other Sizes |
| Targets |
Benzyltributylammonium chloride does not have a defined pharmacological target as it is a chemical reagent and surfactant. Quaternary ammonium compounds can interact with cell membranes and may exhibit antimicrobial activity through membrane disruption. The compound is used primarily as a phase-transfer catalyst, surfactant, and reagent in organic synthesis rather than as a therapeutic agent. It may serve as a precursor for the synthesis of other bioactive quaternary ammonium compounds.
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| ln Vitro |
Tributylbenzylammonium chloride is a biochemical reagent that can be utilized in research pertaining to life sciences as an organic compound or biological material.
No specific in vitro pharmacological activity data are available for benzyltributylammonium chloride as it is a chemical reagent. In research settings, the compound is used as a phase-transfer catalyst and surfactant. Its activity is assessed in terms of catalytic efficiency, surface activity, and synthetic utility rather than biological activity. The compound has been demonstrated as an effective hydrogen bond acceptor in deep eutectic solvent systems. |
| ln Vivo |
No in vivo pharmacological activity data exist for benzyltributylammonium chloride as it is not a therapeutic agent. The compound is used exclusively in chemical synthesis and materials research. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic chemistry, materials science, and analytical chemistry laboratories.
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| Enzyme Assay |
For non-cellular assays, benzyltributylammonium chloride is characterized by standard analytical techniques including NMR, HPLC, and elemental analysis. The compound can be evaluated as a phase-transfer catalyst in organic reactions. Typical protocols involve dissolving the compound in aqueous or organic solvents and testing its ability to facilitate reactions between reagents in different phases. Purity is typically ≥98.0% by nonaqueous titration. Melting point: 155-163°C.
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| Cell Assay |
Benzyltributylammonium chloride is not used in cell-based assays as it is a chemical reagent rather than a biological test compound. The compound is intended for synthetic chemistry applications. If handled in a biological laboratory context, appropriate safety precautions should be taken due to the surfactant properties and potential membrane-disrupting effects. The compound is a solid at room temperature and should be stored in a cool, dry place under inert gas to avoid moisture.
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| Animal Protocol |
Benzyltributylammonium chloride is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories with appropriate personal protective equipment. Storage: keep in a cool, dry place, protected from light and moisture, under inert gas. The compound should be stored in a tightly sealed container. Standard handling procedures for quaternary ammonium salts should be followed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for benzyltributylammonium chloride as it is a chemical reagent. The compound has a molecular weight of 311.93 and molecular formula C19H34ClN. It is a white powder to crystalline solid that is freely soluble in water. Melting point: 155-163°C. Storage: room temperature in a cool, dry place under inert gas, protected from moisture. Purity: ≥98.0% by nonaqueous titration.
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| Toxicity/Toxicokinetics |
Benzyltributylammonium chloride is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Quaternary ammonium compounds can be irritating to skin, eyes, and mucous membranes. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
Benzyltributylammonium chloride (CAS 23616-79-7) is also known as BTAC or BtBAC. It has an EINECS number of 245-787-3. The compound is used as a phase-transfer catalyst, cationic surfactant, and hydrogen bond acceptor in deep eutectic solvents. Applications include lithium recovery from brines, statin extraction, and membrane modification. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C19H34CLN
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| Molecular Weight |
311.93
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| Exact Mass |
311.237
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| CAS # |
23616-79-7
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| Related CAS # |
54225-72-8 (Parent)
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| PubChem CID |
159952
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| Appearance |
White to off-white solid powder
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| Melting Point |
155-163 °C(lit.)
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| LogP |
2.407
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
21
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| Complexity |
196
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Cl-].[N+](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])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
VJGNLOIQCWLBJR-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
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| Chemical Name |
benzyl(tributyl)azanium;chloride
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| HS Tariff Code |
2934.99.9001
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| 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)
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| 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
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2058 mL | 16.0292 mL | 32.0585 mL | |
| 5 mM | 0.6412 mL | 3.2058 mL | 6.4117 mL | |
| 10 mM | 0.3206 mL | 1.6029 mL | 3.2058 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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