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| Targets |
As a cationic surfactant, N,N,N-Trimethyloctan-1-aminium chloride does not have a defined pharmacological target. The compound also possesses antibacterial properties, making it useful as a disinfectant or preservative in certain products. Its primary function is to act as a surfactant and emulsifier, interacting with lipid membranes and interfaces through its amphiphilic properties. The compound's mechanism of action is physical-chemical rather than biological, involving the disruption of microbial cell membranes at sufficient concentrations.
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| ln Vitro |
For life science-related study, N,N,N-Trimethyloctan-1-aminium chloride is a biochemical reagent that can be utilized as an organic substance or biological material.
No specific in vitro pharmacological activity data are available for N,N,N-Trimethyloctan-1-aminium chloride as it is a surfactant and research reagent. In research settings, its activity is assessed in terms of surface activity, emulsifying properties, and antibacterial efficacy rather than direct pharmacological activity. The compound is used as a biochemical reagent for life science research and as a tool for studying membrane interactions and surfactant behavior. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for N,N,N-Trimethyloctan-1-aminium chloride as a therapeutic agent. The compound is used as a surfactant and emulsifier in various industrial and research applications. It is not administered to animals for pharmacological evaluation. Its applications are limited to in vitro research and industrial formulations.
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| Enzyme Assay |
For non-cellular assays, N,N,N-Trimethyloctan-1-aminium chloride is characterized by standard analytical techniques including NMR, HPLC, and elemental analysis to confirm identity and purity. The compound can be evaluated as a phase transfer catalyst in organic reactions and as a surfactant in various applications. Typical protocols involve dissolving the compound in aqueous or organic solvents and testing its ability to facilitate reactions or reduce surface tension. Purity is typically ≥97-99%.
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| Cell Assay |
For in vitro cell-based studies, N,N,N-Trimethyloctan-1-aminium chloride is not typically used as a direct test compound. The compound is intended for synthetic chemistry and biochemical research 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 should be stored in a sealed and protected environment, avoiding exposure to moisture.
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| Animal Protocol |
For in vivo animal studies, N,N,N-Trimethyloctan-1-aminium chloride is not typically administered as a test compound. It is used as a surfactant and phase transfer catalyst in chemical research. If used in toxicological studies, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed for all in vivo studies.
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| ADME/Pharmacokinetics |
The compound has a molecular weight of 207.78 and formula C₁₁H₂₆ClN. It appears as a white solid. The compound has a melting point of approximately 185-190°C and is soluble in water and organic solvents. Storage: powder at -20°C for up to 3 years or at 4°C for up to 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Quaternary ammonium compounds can cause skin, eye, and respiratory irritation. The compound is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported for this compound.
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| Additional Infomation |
N,N,N-Trimethyloctan-1-aminium chloride (CAS 10108-86-8) is also known as trimethyl-n-octylammonium chloride, TOMAC, and Caprylyltrimethylammonium chloride. It has an MDL number of MFCD00059977. The compound is widely used as a surfactant and emulsifier in detergents, fabric softeners, and personal care products. It also possesses antibacterial properties, making it useful as a disinfectant or preservative. No clinical trials or therapeutic approvals exist for this compound.
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| Molecular Formula |
C11H26CLN
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| Molecular Weight |
207.79
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| Exact Mass |
207.175
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| CAS # |
10108-86-8
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| Related CAS # |
15461-38-8 (Parent)
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| PubChem CID |
24949
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| Appearance |
White to off-white solid powder
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| LogP |
0.057
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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 |
7
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| Heavy Atom Count |
13
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| Complexity |
91.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[Cl-].[N+](C([H])([H])[H])(C([H])([H])[H])(C([H])([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]
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| InChi Key |
AQZSPJRLCJSOED-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
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| Chemical Name |
trimethyl(octyl)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 |
| 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 | 4.8126 mL | 24.0628 mL | 48.1255 mL | |
| 5 mM | 0.9625 mL | 4.8126 mL | 9.6251 mL | |
| 10 mM | 0.4813 mL | 2.4063 mL | 4.8126 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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