Cas no 89676-79-9 (bicyclo[2.1.1]hexan-1-amine hydrochloride)

Bicyclo[2.1.1]hexan-1-amine hydrochloride is a rigid, strained bicyclic amine derivative with potential applications in medicinal chemistry and materials science. Its unique bicyclo[2.1.1]hexane scaffold imparts high steric constraint and three-dimensional character, making it valuable for designing conformationally restricted bioactive compounds or ligands. The hydrochloride salt form enhances stability and solubility, facilitating handling and storage. This compound may serve as a versatile building block for synthesizing novel pharmaceuticals, agrochemicals, or catalysts, particularly where rigid frameworks are desired to modulate selectivity or binding affinity. Its structural features also make it an interesting candidate for studying strain-release reactivity in organic synthesis.
bicyclo[2.1.1]hexan-1-amine hydrochloride structure
89676-79-9 structure
Product Name:bicyclo[2.1.1]hexan-1-amine hydrochloride
CAS No:89676-79-9
MF:C6H12ClN
MW:133.619180679321
MDL:MFCD29060097
CID:3395316
PubChem ID:86248687
Update Time:2025-05-27

bicyclo[2.1.1]hexan-1-amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE
    • bicyclo[2.1.1]hexan-4-amine
    • bicyclo[2.1.1]hexan-1-amine hydrochloride
    • PB43779
    • CS-0088990
    • MFCD29060097
    • AUMZACAYVDAXBP-UHFFFAOYSA-N
    • bicyclo[2.1.1]hexan-1-aminehydrochloride
    • (1s)-bicyclo[2.1.1]hexan-1-amine hydrochloride
    • Z2583439654
    • BS-17789
    • bicyclo[2.1.1]hexan-1-amine;hydrochloride
    • SCHEMBL13736262
    • P20285
    • Bicyclo[2.1.1]hexan-1-amine HCl
    • EN300-37375163
    • AKOS037649280
    • 89676-79-9
    • EN300-23891192
    • Bicyclo(2.1.1)hexan-1-amine hydrochloride
    • 871-040-1
    • MDL: MFCD29060097
    • Inchi: 1S/C6H11N.ClH/c7-6-2-1-5(3-6)4-6;/h5H,1-4,7H2;1H
    • InChI Key: AUMZACAYVDAXBP-UHFFFAOYSA-N
    • SMILES: Cl.NC12CCC(C1)C2

Computed Properties

  • Exact Mass: 133.0658271g/mol
  • Monoisotopic Mass: 133.0658271g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 92.4
  • 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: 26?2

bicyclo[2.1.1]hexan-1-amine hydrochloride Pricemore >>

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Additional information on bicyclo[2.1.1]hexan-1-amine hydrochloride

Introduction to BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE (CAS No. 89676-79-9)

BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE, with the chemical identifier CAS No. 89676-79-9, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal research. This bicyclic amine derivative has garnered attention due to its unique structural framework and potential biological activities. The hydrochloride salt form enhances its solubility, making it more amenable for various biochemical and pharmacological studies.

The molecular structure of BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE consists of a bicyclic system with a six-membered ring fused to a five-membered ring, featuring an amine functional group at the 1-position and a hydrochloride counterion. This configuration imparts distinct steric and electronic properties that are exploited in drug design and development. The compound’s ability to interact with biological targets in novel ways has positioned it as a promising candidate for further investigation.

In recent years, there has been growing interest in bicyclic amine derivatives due to their potential applications in treating various diseases. Studies have demonstrated that such compounds can modulate enzyme activity, interact with receptor sites, and influence signaling pathways. The specific arrangement of atoms in BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE allows for fine-tuning of its pharmacological properties, making it a valuable tool in the development of new therapeutic agents.

One of the most compelling aspects of BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE is its role in preclinical research focused on neurodegenerative disorders. Preliminary studies suggest that this compound may have neuroprotective effects by inhibiting oxidative stress and modulating neurotransmitter systems. The hydrochloride salt form enhances its bioavailability, facilitating its entry into clinical trials where its efficacy and safety can be thoroughly evaluated.

The synthesis of BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE involves multi-step organic reactions that require precise control over reaction conditions to achieve high yields and purity. Advanced synthetic methodologies, such as transition metal-catalyzed cyclizations and asymmetric hydrogenations, have been employed to construct the bicyclic core efficiently. These synthetic strategies not only highlight the compound’s structural complexity but also showcase the advancements in synthetic organic chemistry that enable the production of such intricate molecules.

From a computational chemistry perspective, BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE has been subjected to extensive molecular modeling studies to understand its interactions with biological targets at the atomic level. These studies have provided insights into how the compound’s three-dimensional structure influences its binding affinity and selectivity for specific receptors or enzymes. Such knowledge is crucial for optimizing drug candidates and minimizing off-target effects.

The pharmacokinetic profile of BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE is another area of active investigation. Researchers are exploring how its physicochemical properties affect absorption, distribution, metabolism, and excretion (ADME) in vivo. Understanding these parameters is essential for determining appropriate dosing regimens and predicting drug efficacy in humans.

In conclusion, BICYCLO[2.1.1]HEXAN-1-AMINE, HYDROCHLORIDE represents a fascinating compound with significant potential in pharmaceutical research and development. Its unique structural features, combined with promising preclinical results, make it a compelling candidate for further exploration in treating neurological and other diseases.

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