Cas no 91843-34-4 (Ethyl 3-(aminomethyl)benzoate hydrochloride)

Ethyl 3-(aminomethyl)benzoate hydrochloride is a benzoate ester derivative featuring an aminomethyl functional group, which is protonated as a hydrochloride salt for enhanced stability. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both ester and amine functionalities allows for further derivatization, enabling applications in peptide coupling, amide formation, and heterocyclic synthesis. Its hydrochloride form improves solubility in polar solvents, facilitating handling in aqueous or protic reaction conditions. The compound is characterized by high purity and consistent performance, making it suitable for research and industrial-scale processes requiring precise molecular modifications.
Ethyl 3-(aminomethyl)benzoate hydrochloride structure
91843-34-4 structure
Product Name:Ethyl 3-(aminomethyl)benzoate hydrochloride
CAS No:91843-34-4
MF:C10H14ClNO2
MW:215.676661968231
MDL:MFCD16660252
CID:1082397
PubChem ID:52988157
Update Time:2025-08-02

Ethyl 3-(aminomethyl)benzoate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(aminomethyl)benzoate hydrochloride
    • 3-(Aminomethyl)-benzoic acidethylesterhydrochloride
    • SY161686
    • SB79050
    • Benzoic acid, 3-(aminomethyl)-, ethyl ester, hydrochloride
    • 3-(Aminomethyl)-benzoic acid ethyl ester HCl
    • AKOS022177323
    • EN300-155409
    • Ethyl 3-(aminomethyl)benzoate HCl
    • 3-(Aminomethyl)-benzoic acidethylesterHCl
    • s11364
    • ethyl 3-(aminomethyl)benzoate;hydrochloride
    • MFCD16660252
    • 91843-34-4
    • Ethyl3-(aminomethyl)benzoatehydrochloride
    • ETHYLBENZOATE,3-(AMINOMETHYL) HYDROCHLORIDE
    • MDL: MFCD16660252
    • Inchi: 1S/C10H13NO2.ClH/c1-2-13-10(12)9-5-3-4-8(6-9)7-11;/h3-6H,2,7,11H2,1H3;1H
    • InChI Key: ZCJPKKXXARXXCJ-UHFFFAOYSA-N
    • SMILES: Cl.O(CC)C(C1=CC=CC(CN)=C1)=O

Computed Properties

  • Exact Mass: 215.071
  • Monoisotopic Mass: 215.071
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 170
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.3A^2

Ethyl 3-(aminomethyl)benzoate hydrochloride Pricemore >>

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Additional information on Ethyl 3-(aminomethyl)benzoate hydrochloride

Ethyl 3-(aminomethyl)benzoate hydrochloride (CAS No. 91843-34-4): A Comprehensive Overview

Ethyl 3-(aminomethyl)benzoate hydrochloride, with the chemical formula C10H14N2O2·HCl, is a compound of significant interest in the field of pharmaceutical research and development. This compound, identified by its CAS number 91843-34-4, has garnered attention due to its potential applications in various biochemical pathways and its role as an intermediate in the synthesis of more complex molecules. The hydrochloride salt form enhances its solubility and stability, making it a valuable asset in laboratory settings and industrial processes.

The< strong>Ethyl 3-(aminomethyl)benzoate hydrochloride molecule possesses a benzoate core substituted with an aminomethyl group, which introduces a versatile amine functionality. This structural feature allows for further chemical modifications, making it a useful building block in medicinal chemistry. The hydrochloride form ensures that the compound remains in an ionized state, which can be advantageous for certain biological applications where ionization state plays a critical role in absorption and distribution.

In recent years, there has been growing interest in the pharmacological properties of benzoate derivatives. Studies have shown that compounds containing the benzoate moiety can exhibit various biological activities, including anti-inflammatory, analgesic, and neuroprotective effects. The presence of the aminomethyl group in Ethyl 3-(aminomethyl)benzoate hydrochloride adds an additional layer of complexity, potentially influencing its interaction with biological targets. This compound has been explored as a precursor in the synthesis of more complex pharmacophores designed to modulate specific signaling pathways.

One of the most compelling aspects of Ethyl 3-(aminomethyl)benzoate hydrochloride is its potential role in drug discovery. The benzoate core is a well-known scaffold in medicinal chemistry, with numerous examples of drugs approved for various therapeutic uses. By modifying this core structure, researchers can fine-tune the pharmacological properties of the compound. The aminomethyl group provides a site for further functionalization, allowing for the creation of derivatives with enhanced binding affinity or selectivity.

Recent studies have highlighted the importance of amine-containing compounds in therapeutic applications. Amines are key components in many bioactive molecules and often serve as critical recognition elements in protein-protein interactions. Ethyl 3-(aminomethyl)benzoate hydrochloride, with its integrated amine functionality, could be a valuable tool for developing new drugs targeting these interactions. For instance, it has been investigated as a potential ligand for enzymes involved in metabolic disorders and as a component in formulations designed to enhance drug delivery systems.

The hydrochloride salt form of Ethyl 3-(aminomethyl)benzoate offers several practical advantages. Enhanced solubility compared to the free base form makes it more suitable for formulation into pharmaceutical products. Additionally, the stability provided by the hydrochloride salt ensures that the compound remains viable for extended periods under various storage conditions. These properties make it an attractive candidate for both academic research and industrial applications.

In conclusion, Ethyl 3-(aminomethyl)benzoate hydrochloride (CAS No. 91843-34-4) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural features, including the benzoate core and aminomethyl group, make it a versatile intermediate for synthesizing more complex molecules. The hydrochloride salt form enhances its utility by improving solubility and stability. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in drug development and biochemical studies.

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