Cas no 2393-20-6 (3-(Aminomethyl)benzoic acid)

3-(Aminomethyl)benzoic acid structure
3-(Aminomethyl)benzoic acid structure
Product Name:3-(Aminomethyl)benzoic acid
CAS No:2393-20-6
MF:C8H9NO2
MW:151.162562131882
MDL:MFCD03410969
CID:42880
PubChem ID:506073
Update Time:2025-09-23

3-(Aminomethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(Aminomethyl)benzoic acid
    • 3-Aminomethylbenzoic acid
    • 3-Aminomethylbenzoic acid hydrochloride
    • 3-aminomethylbenzoate
    • 3-Aminomethyl-benzoesaeure
    • 3-Aminomethyl-benzoic acid
    • Benzoic acid,3-(aminomethyl)
    • Benzylamin-carbonsaeure-(3)
    • 3-(Aminomethyl)benzoic acid HCl
    • GSWYUZQBLVUEPH-UHFFFAOYSA-N
    • 3-(aminomethyl)benzoicacid
    • CS-0449925
    • AKOS004115485
    • AE-562/43286922
    • TS-01991
    • SCHEMBL61226
    • BDBM50376750
    • Q27453676
    • 3-aminomethyl benzoic acid
    • m-(aminomethyl)benzoic acid
    • J-511692
    • DTXSID40333445
    • Benzoic acid,3-(aminomethyl)-
    • 3-(aminomethyl)benzoic acid, AldrichCPR
    • C9H10O2
    • CHEMBL541141
    • 4-methyl-9H-xanthene-9-carboxylic acid
    • Benzoic acid, 3-(aminomethyl)-
    • AM61422
    • EN300-50406
    • SB36010
    • CHEMBL133384
    • 2393-20-6
    • MFCD03410969
    • FT-0649565
    • BBL010150
    • STK801485
    • MDL: MFCD03410969
    • Inchi: 1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)
    • InChI Key: GSWYUZQBLVUEPH-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)CN)=O

Computed Properties

  • Exact Mass: 151.06300
  • Monoisotopic Mass: 151.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 147
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.7
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32000
  • LogP: 1.54380

3-(Aminomethyl)benzoic acid Security Information

  • Hazard Category Code: 41
  • Safety Instruction: 26-39

3-(Aminomethyl)benzoic acid Pricemore >>

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3-(Aminomethyl)benzoic acid Production Method

Additional information on 3-(Aminomethyl)benzoic acid

Professional Introduction to 3-(Aminomethyl)benzoic acid (CAS No: 2393-20-6)

3-(Aminomethyl)benzoic acid, with the chemical formula C?H?NO? and CAS number 2393-20-6, is a versatile organic compound that has garnered significant attention in the field of pharmaceutical chemistry and biochemical research. This compound, characterized by its amine and carboxylic acid functional groups, serves as a crucial intermediate in the synthesis of various pharmacologically active molecules. Its unique structural properties make it a valuable building block for drug development, particularly in the design of novel therapeutic agents targeting a range of diseases.

The aminomethyl substituent in 3-(Aminomethyl)benzoic acid imparts reactivity that is highly useful in medicinal chemistry. This group can participate in various chemical transformations, including condensation reactions, nucleophilic substitutions, and coupling reactions, which are essential for constructing complex molecular architectures. The presence of both an amine and a carboxylic acid moiety allows for the formation of amides, esters, and other derivatives, making this compound a versatile tool in synthetic chemistry.

In recent years, 3-(Aminomethyl)benzoic acid has been extensively studied for its potential applications in drug discovery. One of the most promising areas of research involves its use as a precursor in the synthesis of bioactive molecules that exhibit antimicrobial, anti-inflammatory, and anticancer properties. For instance, derivatives of this compound have been explored as inhibitors of enzymes involved in cancer progression, such as kinases and proteases. The ability to modify the benzoic acid core while retaining the amine functionality provides chemists with a high degree of flexibility in designing molecules with tailored biological activities.

Moreover, 3-(Aminomethyl)benzoic acid has found utility in the development of targeted drug delivery systems. Its amphiphilic nature allows it to form inclusion complexes with hydrophobic drugs, enhancing their solubility and bioavailability. This property is particularly relevant in oncology, where poor solubility often limits the efficacy of anticancer drugs. By incorporating 3-(Aminomethyl)benzoic acid into drug formulations, researchers aim to improve therapeutic outcomes through more efficient delivery mechanisms.

Recent advancements in computational chemistry have further highlighted the significance of 3-(Aminomethyl)benzoic acid as a scaffold for drug design. Molecular modeling studies have demonstrated that modifications to its structure can fine-tune its interactions with biological targets. For example, computational screening has identified analogs of 3-(Aminomethyl)benzoic acid that exhibit enhanced binding affinity to specific protein receptors involved in neurological disorders. These findings underscore the compound's potential as a lead structure for developing novel therapeutics.

The role of 3-(Aminomethyl)benzoic acid in biocatalysis is another area of growing interest. Enzymes such as transaminases and oxidoreductases can utilize this compound as a substrate or co-substrate, facilitating the synthesis of complex biomolecules under mild conditions. This approach aligns with the growing trend toward green chemistry and sustainable drug production methods. By leveraging enzymatic transformations, researchers can achieve higher yields and selectivity in the synthesis of pharmacologically relevant derivatives.

In conclusion, 3-(Aminomethyl)benzoic acid (CAS No: 2393-20-6) is a multifaceted compound with broad applications in pharmaceutical research and drug development. Its unique structural features enable diverse chemical modifications, making it an invaluable intermediate for synthesizing bioactive molecules with potential therapeutic applications. As research continues to uncover new ways to harness its properties, 3-(Aminomethyl)benzoic acid is poised to remain a cornerstone in medicinal chemistry innovation.

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