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| Other Sizes |
| Targets |
N,N,N-Trimethylbenzenaminium chloride does not have a defined pharmacological target as it is a quaternary ammonium salt and biochemical reagent. The compound is used as a phase transfer catalyst in organic synthesis. As a quaternary ammonium compound, it can facilitate reactions between organic and inorganic phases.
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| ln Vitro |
No specific in vitro pharmacological activity data are available for N,N,N-Trimethylbenzenaminium chloride as a drug candidate. In research settings, the compound is used as a biochemical reagent and phase transfer catalyst. Its activity is assessed in terms of catalytic efficiency and synthetic utility rather than direct biological activity.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for N,N,N-Trimethylbenzenaminium chloride as a therapeutic agent. The compound is used as a chemical reagent and biochemical reagent. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis and research.
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| Enzyme Assay |
For non-cellular assays, N,N,N-Trimethylbenzenaminium 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. Purity: 98%(HPLC),RG. Melting point: 246-248°C (dec.).
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| Cell Assay |
For in vitro cell-based studies, N,N,N-Trimethylbenzenaminium chloride is not typically used as a direct 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 quaternary ammonium structure. The compound is a solid at room temperature.
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| Animal Protocol |
For in vivo animal studies, N,N,N-Trimethylbenzenaminium chloride is not typically administered as a test compound. The compound is used as a chemical reagent. If used in toxicological studies, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
N,N,N-Trimethylbenzenaminium chloride has a molecular weight of 171.67 and molecular formula C9H14ClN. It has a melting point of 246-248°C (dec.) and density of 1.0683. Purity: 98%(HPLC),RG. Storage: keep in a cool, dry place protected from light and moisture.
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| Toxicity/Toxicokinetics |
N,N,N-Trimethylbenzenaminium 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.
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| Additional Infomation |
N,N,N-Trimethylbenzenaminium chloride (CAS 138-24-9) is also known as phenyltrimethylammonium chloride and trimethyl phenyl ammonium chloride. It is a quaternary ammonium salt used as a phase transfer catalyst in organic synthesis. The compound is a biochemical reagent for life science research. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C9H14CLN
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|---|---|
| Molecular Weight |
171.67
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| Exact Mass |
171.081
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| CAS # |
138-24-9
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| Related CAS # |
3426-74-2 (Parent)
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| PubChem CID |
67309
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| Appearance |
Pale purple to purple solid powder
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| Melting Point |
246-248 °C (dec.)(lit.)
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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 |
1
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| Heavy Atom Count |
11
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| Complexity |
95.8
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C[N+](C)(C)C1=CC=CC=C1.[Cl-]
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| InChi Key |
MQAYPFVXSPHGJM-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
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| Chemical Name |
trimethyl(phenyl)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 | 5.8251 mL | 29.1256 mL | 58.2513 mL | |
| 5 mM | 1.1650 mL | 5.8251 mL | 11.6503 mL | |
| 10 mM | 0.5825 mL | 2.9126 mL | 5.8251 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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