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| Other Sizes |
| Targets |
As a synthetic intermediate, Ethyl 2-(benzylamino)acetate does not have a direct biological target. Its utility lies in its role as a building block for the synthesis of various chemical products, including pharmaceuticals and agrochemicals. The compound's benzylamino group can be further functionalized, and the ethyl ester can be hydrolyzed to the corresponding carboxylic acid, enabling diverse chemical transformations. The compound is used in the preparation/synthesis of chemical products, particularly as an intermediate in organic synthesis. Its value is in chemical synthesis rather than direct biological activity.
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| ln Vitro |
As a synthetic intermediate, Ethyl 2-(benzylamino)acetate does not have direct in vitro biological activity. Its value is in chemical synthesis and as a building block for pharmaceuticals and agrochemicals. The compound itself is not tested in biological assays but is used as a reagent in chemical synthesis. Its in vitro activity would be evaluated indirectly through the biological activity of the final products synthesized from it.
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| ln Vivo |
As a synthetic intermediate, Ethyl 2-(benzylamino)acetate does not have in vivo biological activity. Its value is in chemical synthesis and as a building block for pharmaceuticals and agrochemicals. The compound is not intended for administration to animals or humans. Its biological relevance is indirect, through the compounds that are synthesized using it. The compound itself is a chemical reagent used in research and development.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to Ethyl 2-(benzylamino)acetate as it is a synthetic intermediate with no direct biological activity. The compound is characterized by chemical analysis methods such as HPLC for purity assessment (≥98%), NMR for structural confirmation, and GC for volatility. Its physicochemical properties, including density (1.0±0.1 g/cm³), boiling point (277.0±23.0 °C), flash point (121.3±22.6 °C), and logP (2.29), are determined by standard chemical characterization techniques. No enzyme or receptor binding studies have been reported or are relevant for this compound.
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| Cell Assay |
Cell culture experiments are not applicable to Ethyl 2-(benzylamino)acetate as it is a synthetic intermediate with no direct biological activity. The compound is used in chemical synthesis and is not intended for cell-based assays. Researchers using this compound should focus on its chemical properties and synthetic applications rather than cell-based studies. The compound should be handled with appropriate safety precautions as a chemical reagent.
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| Animal Protocol |
In vivo animal experiments are not applicable to Ethyl 2-(benzylamino)acetate as it is a synthetic intermediate rather than a therapeutic agent. The compound is not intended for administration to animals. Its biological relevance is indirect, through the compounds that are synthesized using it. The compound itself is a chemical reagent used in research and development. Researchers should not attempt in vivo administration of this compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to Ethyl 2-(benzylamino)acetate as it is a synthetic intermediate rather than a therapeutic agent. The compound is not intended for administration to animals or humans. Its physicochemical properties include molecular weight 193.24, molecular formula C11H15NO2, boiling point 277.0±23.0 °C, density 1.0±0.1 g/cm³, and logP 2.29. The compound is a colorless to light yellow liquid. Solubility: DMSO ~100 mg/mL (~517.46 mM). 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. These properties are relevant for chemical synthesis rather than pharmacokinetics.
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| Toxicity/Toxicokinetics |
Toxicology data are not applicable to Ethyl 2-(benzylamino)acetate as it is a synthetic intermediate rather than a therapeutic agent. The compound is not intended for human use, and comprehensive toxicology studies have not been conducted. The compound should be handled with appropriate safety precautions as a chemical reagent. Standard laboratory safety practices should be followed, including use of appropriate personal protective equipment and working in a well-ventilated area. The compound should be stored properly and disposed of in accordance with applicable regulations. Researchers should consult the material safety data sheet (MSDS) for detailed safety information. The compound is for research use only and is not for human use.
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| References | |
| Additional Infomation |
Ethyl 2-(benzylamino)acetate has CAS number 6436-90-4, molecular formula C11H15NO2, and molecular weight 193.24. It is also known as N-benzylglycine ethyl ester, ethyl benzylaminoacetate, and benzylamino-acetic acid ethyl ester. The compound is an important chemical, pesticide, and pharmaceutical intermediate extensively used in the preparation and synthesis of chemical products. Purity: ≥98%. Appearance: Colorless to light yellow liquid. Boiling point: 277.0±23.0 °C. Density: 1.0±0.1 g/cm³. Solubility: DMSO ~100 mg/mL (~517.46 mM). Storage: powder at -20°C for 3 years, 4°C for 2 years; in solvent at -80°C for 6 months, -20°C for 1 month. Not for human use; for research purposes only. The compound is a valuable building block for organic synthesis in pharmaceutical and agrochemical research.
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| Molecular Formula |
C11H15NO2
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|---|---|
| Molecular Weight |
193.2423
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| Exact Mass |
193.11
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| CAS # |
6436-90-4
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| PubChem CID |
80908
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
277.0±23.0 °C at 760 mmHg
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| Flash Point |
121.3±22.6 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.510
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| LogP |
2.29
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
14
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| Complexity |
165
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])C([H])([H])[H])C(C([H])([H])N([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
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| InChi Key |
ULOLIZHBYWAICY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
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| Chemical Name |
ethyl 2-(benzylamino)acetate
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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) |
DMSO : ~100 mg/mL (~517.46 mM)
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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 | 5.1749 mL | 25.8746 mL | 51.7491 mL | |
| 5 mM | 1.0350 mL | 5.1749 mL | 10.3498 mL | |
| 10 mM | 0.5175 mL | 2.5875 mL | 5.1749 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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