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| Targets |
As a quaternary ammonium compound, N,N,N-Trimethylpropan-1-aminium bromide does not have a defined pharmacological target. Its primary function is as a chemical reagent rather than a therapeutic agent. The compound is used as a phase transfer catalyst, surfactant, and biochemical assay reagent. Its positive charge on the nitrogen makes it a strong ion, with applications in pharmaceuticals, catalysis, and electrochemistry. It may exhibit antibacterial activity through membrane disruption mechanisms, but this is not its primary research application.
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| ln Vitro |
N,N,N-Trimethylpropan-1-aminium bromide 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 N,N,N-Trimethylpropan-1-aminium bromide as it is a chemical reagent. In research settings, the compound is used as a biochemical reagent that can be utilized in life science research as an organic compound or biological material. Its activity is assessed in terms of catalytic efficiency, surface activity, and synthetic utility rather than direct biological activity. The compound is used in the preparation of ionic liquids and surfactants. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for N,N,N-Trimethylpropan-1-aminium bromide as it is not a therapeutic agent. The compound is used exclusively as a research reagent and chemical intermediate. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic chemistry, pharmaceutical research, and materials science laboratories.
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| Enzyme Assay |
For non-cellular assays, N,N,N-Trimethylpropan-1-aminium bromide 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. 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 ≥95% to ≥98%. The compound has a hydrogen bond donor count of 0 and an acceptor count of 1.
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| Cell Assay |
For in vitro cell-based studies, N,N,N-Trimethylpropan-1-aminium bromide 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-Trimethylpropan-1-aminium bromide can be formulated using common injection vehicles such as DMSO:Tween 80:Saline = 10:5:85 for intravenous, intraperitoneal, intramuscular, or subcutaneous administration. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. The compound is stable at ambient temperature for a few days during shipping. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
N,N,N-Trimethylpropan-1-aminium bromide has a molecular weight of 182.10 and molecular formula C6H16BrN. It is a white to off-white solid powder with a melting point of 238 °C (dec.). The compound has 0 hydrogen bond donors, 1 hydrogen bond acceptor, and 2 rotatable bonds. Storage: powder at -20°C for 3 years or 4°C for 2 years; in solvent at -80°C for 6 months or -20°C for 1 month. Solubility: may dissolve in DMSO, H2O, Ethanol, or DMF. The compound is stable at room temperature for a few days during shipping.
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| Toxicity/Toxicokinetics |
N,N,N-Trimethylpropan-1-aminium bromide is classified as a quaternary ammonium compound and may 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-Trimethylpropan-1-aminium bromide (CAS 2650-50-2) is also known as trimethylpropylammonium bromide, 1-Propanaminium, N,N,N-trimethyl-, bromide, and propyltrimethylammonium bromide. It has a PubChem CID of 75853 and SMILES structure CCC[N+](C)(C)C.[Br-]. The compound is used as a phase transfer catalyst, surfactant, corrosion inhibitor, and antibacterial agent in pharmaceutical, agrochemical, and materials science research. No clinical trials or therapeutic approvals exist for this compound.
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| Molecular Formula |
C6H16BRN
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| Molecular Weight |
182.10
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| Exact Mass |
181.046
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| CAS # |
2650-50-2
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| PubChem CID |
75853
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| Appearance |
White to off-white solid powder
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| Melting Point |
238 °C(dec.)
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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 |
2
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| Heavy Atom Count |
8
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| Complexity |
42.6
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC[N+](C)(C)C.[Br-]
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| InChi Key |
FCGQIZKUTMUWDC-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
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| Chemical Name |
trimethyl(propyl)azanium;bromide
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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 | 5.4915 mL | 27.4574 mL | 54.9149 mL | |
| 5 mM | 1.0983 mL | 5.4915 mL | 10.9830 mL | |
| 10 mM | 0.5491 mL | 2.7457 mL | 5.4915 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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