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| Other Sizes |
| Targets |
As a synthetic intermediate, 3-chloro-N,N-dimethylpropan-1-amine hydrochloride does not have specific biological receptors as its primary targets. The compound's primary function is as a building block in organic synthesis, particularly for introducing a 3-(dimethylamino)propyl side chain into target molecules. It is used to synthesize a wide range of pharmaceutical and agrochemical compounds. The compound has been reported to exhibit mutagenic activity, suggesting potential interactions with DNA or other cellular components, but this is not its primary application.
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| ln Vitro |
For the synthesis of numerous medications and pesticide intermediates, 3-chloro-N,N-dimethylpropan-1-amine hydrochloride is primarily utilized as a pharmaceutical intermediate. In addition, it is employed in other research projects and as an intermediate chemical for photography, biochemical reagents, and enzymes. It exhibits mutagenic properties.
In vitro, 3-chloro-N,N-dimethylpropan-1-amine hydrochloride is used as a biochemical reagent for life science related research. It serves as a key intermediate in the synthesis of various drug molecules and pesticide intermediates. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in chemical synthesis. The compound's reactivity as a chloroalkylamine makes it valuable for introducing functional groups into target molecules for drug discovery. |
| ln Vivo |
In vivo data for 3-chloro-N,N-dimethylpropan-1-amine hydrochloride is limited, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. It has been reported to exhibit mutagenic activity, suggesting potential for genotoxicity. The compound's primary value lies in its use as a pharmaceutical intermediate for preparing various drugs and agrochemicals. Specific in vivo data for the parent compound is not available in the public literature.
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| Enzyme Assay |
In vitro enzyme assays for 3-chloro-N,N-dimethylpropan-1-amine hydrochloride are not typically performed, as it is primarily a synthetic intermediate. The compound is used as a building block in organic synthesis to prepare pharmaceutical and agrochemical compounds. A typical assay involves using the compound in chemical reactions, such as nucleophilic substitution, to introduce a 3-(dimethylamino)propyl group into target molecules. The compound is dissolved in organic solvents such as DMSO or ethanol. The resulting products can be evaluated for biological activity. Enzyme inhibition or receptor binding assays can be performed on the final synthesized compounds.
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| Cell Assay |
Cellular assays for 3-chloro-N,N-dimethylpropan-1-amine hydrochloride are not standard, as the compound is primarily a synthetic intermediate. The compound is used in the preparation of various pharmaceuticals and agrochemicals. Any cellular studies would be limited to evaluating the compound's mutagenic activity or cytotoxicity. A standard protocol would involve culturing appropriate cell lines in growth medium at 37°C with 5% CO₂. Cells would be treated with varying concentrations of the compound. Cell viability would be assessed using MTT or similar assays. Mutagenicity could be evaluated using Ames test or other genotoxicity assays.
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| Animal Protocol |
In vivo animal studies for 3-chloro-N,N-dimethylpropan-1-amine hydrochloride are not standard, as it is a synthetic intermediate rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to evaluating its mutagenic potential or toxicological profile as an industrial chemical. The compound's primary value lies in its use as a synthetic intermediate for preparing various drugs and agrochemicals. Specific in vivo protocols are not available in the public literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 3-chloro-N,N-dimethylpropan-1-amine hydrochloride is limited, as it is primarily a research reagent. The compound has a molecular weight of 158.07 g/mol and a molecular formula of C₅H₁₃Cl₂N. It is a solid at room temperature. As a chloroalkylamine, it may undergo metabolic dehalogenation and oxidation. The compound is soluble in water and organic solvents. Specific ADME data is not available. The compound is stored in a dry, cool place.
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| Toxicity/Toxicokinetics |
3-Chloro-N,N-dimethylpropan-1-amine hydrochloride is classified for research use only and is not intended for human or veterinary applications. It has been reported to exhibit mutagenic activity. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed.
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| Additional Infomation |
3-Chloro-N,N-dimethylpropan-1-amine hydrochloride (CAS 5407-04-5) is a biochemical reagent with the molecular formula C₅H₁₃Cl₂N. It is primarily used as a pharmaceutical intermediate for the synthesis of medications and pesticide intermediates. The compound is also employed in biochemical and enzyme research applications. It is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent.
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| Molecular Formula |
C5H13CL2N
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|---|---|
| Molecular Weight |
158.07
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| Exact Mass |
157.042
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| CAS # |
5407-04-5
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| Related CAS # |
3-Chloro-N,N-dimethylpropan-1-amine-d6 hydrochloride;1219799-04-8
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| PubChem CID |
94308
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| Appearance |
White to off-white solid powder
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| Boiling Point |
130.7ºC at 760mmHg
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| Melting Point |
187-190 °C(lit.)
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| Flash Point |
32.8ºC
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| LogP |
1.978
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
37.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H].Cl[H]
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| InChi Key |
LJQNMDZRCXJETK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
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| Chemical Name |
3-chloro-N,N-dimethylpropan-1-amine;hydrochloride
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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 | 6.3263 mL | 31.6316 mL | 63.2631 mL | |
| 5 mM | 1.2653 mL | 6.3263 mL | 12.6526 mL | |
| 10 mM | 0.6326 mL | 3.1632 mL | 6.3263 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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