Cas no 440099-32-1 (1-(1,2-oxazol-5-yl)methanamine hydrochloride)

1-(1,2-oxazol-5-yl)methanamine hydrochloride is a versatile organic compound with significant applications in pharmaceutical research. It exhibits high purity and stability, facilitating accurate synthesis and analysis. The compound's unique 1,2-oxazol-5-yl group enhances its reactivity, making it suitable for various chemical transformations. Its availability in hydrochloride form simplifies handling and purification processes, contributing to efficient laboratory workflows.
1-(1,2-oxazol-5-yl)methanamine hydrochloride structure
440099-32-1 structure
Product Name:1-(1,2-oxazol-5-yl)methanamine hydrochloride
CAS No:440099-32-1
MF:C4H7ClN2O
MW:134.56417965889
MDL:MFCD06738817
CID:327303
PubChem ID:18442593
Update Time:2025-06-18

1-(1,2-oxazol-5-yl)methanamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • C-Isoxazol-5-yl-methylamine hydrochloride
    • 1,2-oxazol-5-ylmethanamine,hydrochloride
    • 1-isoxazol-5-ylmethanamine hydrochloride
    • 5-Isoxazolemethanamine hydrochloride
    • 5-Isoxazolemethanamine,hydrochloride (1:1)
    • isoxazol-5-ylmethanamine dihydrochloride
    • ISOXAZOL-5-YL-METHYLAMINE HYDROCHLORIDE,
    • 5-isoxazolylmethanamine hydrochloride
    • C-Isoxazol-5-ylmethanamine hydrochloride
    • ISOXAZOL-5-YLMETHYLAMINE HCL
    • isoxazol-5-ylmethanamine hydrochloride
    • 1,2-oxazol-5-ylmethanamine hydrochloride
    • Isoxazol-5-yl-methylamine hydrochloride
    • (isoxazol-5-ylmethyl)amine hydrochloride
    • (1,2-oxazol-5-yl)methanamine hydrochloride
    • 5-(Aminomethyl)isoxazole HCl
    • PRNKBQWBHXELQZ-UHFFFAOYSA-N
    • 6076AB
    • 1-(1,2-oxazol-5-yl)methanamine hydrochloride
    • 5-ISOXAZOLEMETHANAMINE, HCL
    • A826474
    • EN300-124590
    • MFCD06738817
    • AM20120499
    • DTXSID00593806
    • Isoxazol-5-ylmethanamine HCl
    • C-isoxazol-5-ylmethylamine HCl
    • AKOS016004524
    • F2199-0010
    • CS-0067551
    • Z1964347782
    • FT-0649494
    • 1-(1,2-Oxazol-5-yl)methanamine--hydrogen chloride (1/1)
    • DS-11056
    • 1,2-oxazol-5-ylmethanamine;hydrochloride
    • 5-Isoxazolemethanamine, hydrochloride (1:1)
    • AC-25324
    • SCHEMBL5212534
    • AB27950
    • 440099-32-1
    • isoxazol-5-ylmethanaminehydrochloride
    • DB-070502
    • MDL: MFCD06738817
    • Inchi: 1S/C4H6N2O.ClH/c5-3-4-1-2-6-7-4;/h1-2H,3,5H2;1H
    • InChI Key: PRNKBQWBHXELQZ-UHFFFAOYSA-N
    • SMILES: Cl.O1C(=CC=N1)CN

Computed Properties

  • Exact Mass: 134.02500
  • Monoisotopic Mass: 134.0246905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 57.7
  • 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

Experimental Properties

  • PSA: 52.05000
  • LogP: 1.63560

1-(1,2-oxazol-5-yl)methanamine hydrochloride Security Information

1-(1,2-oxazol-5-yl)methanamine hydrochloride Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(1,2-oxazol-5-yl)methanamine hydrochloride Pricemore >>

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1-(1,2-oxazol-5-yl)methanamine hydrochloride Related Literature

Additional information on 1-(1,2-oxazol-5-yl)methanamine hydrochloride

Introduction to 1-(1,2-oxazol-5-yl)methanamine hydrochloride (CAS No. 440099-32-1)

1-(1,2-oxazol-5-yl)methanamine hydrochloride, identified by its Chemical Abstracts Service (CAS) number 440099-32-1, is a significant compound in the realm of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the oxazole derivatives, a class of heterocyclic compounds that have garnered considerable attention due to their diverse biological activities and structural versatility. The presence of the oxazole ring, a five-membered aromatic ring containing one oxygen atom, contributes to the unique electronic and steric properties of this molecule, making it a valuable scaffold for drug discovery and development.

The hydrochloride salt form of 1-(1,2-oxazol-5-yl)methanamine enhances its solubility in aqueous media, which is a critical factor for pharmaceutical applications. This solubility profile facilitates its use in various formulation processes and biological assays. The amine functional group at the methanamine moiety provides a site for further chemical modifications, enabling the synthesis of more complex derivatives with tailored biological properties.

In recent years, oxazole derivatives have been extensively studied for their potential therapeutic effects. These compounds exhibit a wide range of biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. The oxazole core is particularly notable for its ability to interact with biological targets such as enzymes and receptors, making it an attractive motif for medicinal chemists. The specific substitution pattern in 1-(1,2-oxazol-5-yl)methanamine hydrochloride may influence its binding affinity and selectivity towards these targets.

One of the most compelling aspects of this compound is its role in the development of novel therapeutic agents. Researchers have been exploring its potential as a precursor for more complex molecules that can modulate specific biological pathways. For instance, studies have shown that oxazole derivatives can interfere with metabolic pathways involved in cancer progression by inhibiting key enzymes or disrupting signaling cascades. The amine group in 1-(1,2-oxazol-5-yl)methanamine hydrochloride serves as a versatile handle for further functionalization, allowing chemists to design molecules with enhanced potency and reduced toxicity.

The synthesis of 1-(1,2-oxazol-5-yl)methanamine hydrochloride involves multi-step organic transformations that highlight the ingenuity of modern synthetic chemistry. The construction of the oxazole ring typically requires cyclocondensation reactions between appropriate precursors under controlled conditions. Subsequent functionalization steps introduce the methanamine group and its subsequent conversion to the hydrochloride salt. These synthetic routes underscore the importance of robust methodologies in producing complex molecules like this one.

Recent advances in computational chemistry have also played a pivotal role in understanding the behavior of 1-(1,2-oxazol-5-yl)methanamine hydrochloride. Molecular modeling techniques allow researchers to predict how this compound interacts with biological targets at the atomic level. These predictions are crucial for designing experiments and optimizing synthetic routes before conducting expensive wet-lab studies. Additionally, computational methods can help identify potential side effects or toxicities associated with the compound.

The pharmacokinetic properties of 1-(1,2-oxazol-5-yl)methanamine hydrochloride are another area of active investigation. Understanding how a compound is absorbed, distributed, metabolized, and excreted (ADME) is essential for determining its clinical efficacy and safety profile. Studies have begun to explore how modifications to the oxazole ring or other parts of the molecule can influence these properties. For example, certain substituents may enhance oral bioavailability or prolong systemic exposure.

In clinical settings, 1-(1,2-oxazol-5-yl)methanamine hydrochloride may be used as an intermediate in drug development pipelines or as a lead compound itself. Its structural features make it amenable to further derivatization into molecules with improved pharmacological profiles. Researchers are particularly interested in how variations around the oxazole core can modulate activity against specific disease targets while minimizing off-target effects.

The regulatory landscape for new pharmaceutical compounds also impacts the development process of 1-(1,2-oxazol-5-yl)methanamine hydrochloride. Compliance with guidelines set forth by agencies such as the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA) is essential for ensuring safety and efficacy before human use. This involves rigorous testing across multiple phases of clinical trials to demonstrate both therapeutic benefit and acceptable risk profiles.

Ethical considerations are paramount when developing new drugs like those derived from 1-(1,2-oxazol-5-yl)methanamine hydrochloride. Involving diverse patient populations in clinical trials ensures that benefits are equitably distributed across different demographics. Additionally, sustainable synthetic methods that minimize environmental impact are increasingly becoming part of green chemistry initiatives within pharmaceutical companies.

The future directions for research on 1-(1,2-oxazol-5-yl)methanamine hydrochloride include exploring new synthetic pathways that improve efficiency and scalability while reducing waste generation. Collaborative efforts between academia and industry will be crucial in translating laboratory discoveries into viable therapeutic agents suitable for clinical use.

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