Cas no 62409-52-3 (Hexanoic acid, 6-amino-5-oxo-, hydrochloride)

Hexanoic acid, 6-amino-5-oxo-, hydrochloride is a chemically modified derivative of hexanoic acid, featuring an amino and oxo functional group at the 5- and 6-positions, respectively, with a hydrochloride salt form. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its reactive functional groups, which facilitate further derivatization. The hydrochloride salt enhances solubility in polar solvents, improving handling and reaction efficiency. Its structural features make it a valuable intermediate for the preparation of peptidomimetics, heterocycles, and other bioactive molecules. The compound is characterized by high purity and stability under standard storage conditions, ensuring reliable performance in laboratory applications.
Hexanoic acid, 6-amino-5-oxo-, hydrochloride structure
62409-52-3 structure
Product Name:Hexanoic acid, 6-amino-5-oxo-, hydrochloride
CAS No:62409-52-3
MF:C6H12ClNO3
MW:181.617381095886
CID:445728
PubChem ID:71386672
Update Time:2025-06-09

Hexanoic acid, 6-amino-5-oxo-, hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 6-amino-5-oxo-, hydrochloride
    • 6-amino-5-oxohexanoic acid,hydrochloride
    • AKOS016353106
    • starbld0027600
    • 6-Amino-5-oxohexanoic acid--hydrogen chloride (1/1)
    • DTXSID90808835
    • 6-amino-5-oxohexanoic acid;hydrochloride
    • 6-amino-5-oxohexanoic acid hydrochloride
    • EN300-736550
    • 62409-52-3
    • MFCD09831949
    • SCHEMBL689105
    • RJEBRDFBEWSEQF-UHFFFAOYSA-N
    • Inchi: 1S/C6H11NO3.ClH/c7-4-5(8)2-1-3-6(9)10;/h1-4,7H2,(H,9,10);1H
    • InChI Key: RJEBRDFBEWSEQF-UHFFFAOYSA-N
    • SMILES: Cl.O=C(CN)CCCC(=O)O

Computed Properties

  • Exact Mass: 181.05066
  • Monoisotopic Mass: 181.0505709g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 133
  • 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: 80.4?2

Experimental Properties

  • PSA: 80.39

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Additional information on Hexanoic acid, 6-amino-5-oxo-, hydrochloride

Hexanoic acid, 6-amino-5-oxo-, hydrochloride (CAS No. 62409-52-3): A Comprehensive Overview in Modern Chemical and Pharmaceutical Research

Hexanoic acid, 6-amino-5-oxo-, hydrochloride, with the CAS number 62409-52-3, is a compound of significant interest in the field of chemical and pharmaceutical research. This compound, characterized by its unique structural and functional properties, has garnered attention for its potential applications in various biochemical pathways and drug development processes.

The molecular structure of Hexanoic acid, 6-amino-5-oxo-, hydrochloride consists of a hexanoic acid backbone modified with an amino group at the sixth carbon and a keto group at the fifth carbon. The hydrochloride salt form enhances its solubility in aqueous solutions, making it a versatile compound for both in vitro and in vivo studies. This structural configuration imparts unique reactivity and biological activity, which have been explored in recent scientific literature.

In recent years, Hexanoic acid, 6-amino-5-oxo-, hydrochloride has been studied for its role in modulating various biochemical pathways. One of the most notable areas of research involves its potential as an intermediate in the synthesis of bioactive molecules. The presence of both amino and keto functional groups allows for diverse chemical modifications, making it a valuable building block for the development of novel compounds.

Research published in leading journals has highlighted the compound's significance in medicinal chemistry. For instance, studies have demonstrated its ability to interact with specific enzymes and receptors, suggesting potential applications in the treatment of metabolic disorders and inflammatory conditions. The hydrochloride salt form enhances these interactions by improving bioavailability and stability.

The compound's reactivity also makes it a useful tool in synthetic chemistry. Researchers have leveraged its structural features to develop new synthetic routes for complex molecules. These advancements have not only expanded the chemical toolbox but also provided insights into the mechanisms underlying various biological processes.

In addition to its synthetic utility, Hexanoic acid, 6-amino-5-oxo-, hydrochloride has been investigated for its pharmacological properties. Preliminary studies indicate that it may possess anti-inflammatory and analgesic effects, making it a candidate for further development as a therapeutic agent. The ability to fine-tune its properties through chemical modifications offers a promising avenue for drug discovery.

The integration of computational methods into the study of this compound has further accelerated research progress. Molecular modeling techniques have been employed to predict how Hexanoic acid, 6-amino-5-oxo-, hydrochloride interacts with biological targets. These simulations have provided valuable insights into its mechanism of action and have guided experimental design.

The compound's potential extends beyond pharmaceutical applications. It has been explored as a key intermediate in the production of agrochemicals and specialty chemicals. Its versatility in chemical transformations makes it a valuable asset in industrial settings where precise control over molecular structure is essential.

The safety profile of Hexanoic acid, 6-amino-5-oxo-, hydrochloride is another critical aspect that has been thoroughly evaluated. Extensive toxicological studies have been conducted to assess its effects on human health and the environment. These studies have reinforced its suitability for use in controlled laboratory environments and industrial processes.

The future prospects for this compound are promising. Ongoing research aims to uncover new applications and optimize its synthesis for greater efficiency. Collaborative efforts between academia and industry are expected to drive innovation and lead to significant breakthroughs.

In conclusion, Hexanoic acid, 6-amino-5-oxo-, hydrochloride (CAS No. 62409-52-3) is a multifaceted compound with substantial potential in chemical and pharmaceutical research. Its unique structural features, combined with its reactivity and solubility characteristics, make it a valuable tool for scientists working on drug development, synthetic chemistry, and biochemical pathways.

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