Cas no 76325-96-7 (trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride)

Technical Introduction: trans-2-(4-Aminocyclohexyl)acetic acid hydrochloride is a chiral cyclohexane derivative featuring both an amino and a carboxylic acid functional group. The trans configuration ensures structural stability and distinct stereochemical properties, making it valuable for synthetic applications in pharmaceuticals and organic chemistry. The hydrochloride salt enhances solubility and handling, facilitating its use in peptide synthesis, ligand design, and as a building block for bioactive compounds. Its rigid cyclohexane backbone contributes to conformational control in molecular interactions. The product is typically characterized by high purity, ensuring reproducibility in research and industrial processes. Suitable for use under standard laboratory conditions, it requires storage in a cool, dry environment to maintain stability.
trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride structure
76325-96-7 structure
Product Name:trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride
CAS No:76325-96-7
MF:C8H16ClNO2
MW:193.671141624451
MDL:MFCD16661180
CID:1037336
PubChem ID:12603943
Update Time:2025-05-19

trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • trans-2-(4-Aminocyclohexyl)acetic acid hydrochloride
    • 2-(4-aminocyclohexyl)acetic acid,hydrochloride
    • cyclohexa<wbr>
    • LogP
    • trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride
    • PS-16770
    • CS-0100458
    • F2147-7933
    • AKOS040814320
    • trans-4-aminocyclohexylacetic acid hydrochloride
    • cis-2-(4-Aminocyclohexyl)acetic acid hydrochloride
    • SB13900
    • SCHEMBL2993124
    • Z3243726577
    • A865500
    • 2-(cis-4-Aminocyclohexyl)acetic acid hydrochloride
    • SCHEMBL2993122
    • EN300-7400015
    • Z1255418104
    • 2-[(1r,4r)-4-aminocyclohexyl]acetic acid hydrochloride
    • 61367-39-3
    • DS-4504
    • MFCD16661180
    • 109572-36-3
    • AKOS016009141
    • 2-(4-Aminocyclohexyl)acetic acid hydrochloride
    • EN300-1213475
    • DTXSID10504125
    • (4-Aminocyclohexyl)acetic acid--hydrogen chloride (1/1)
    • 76325-96-7
    • cis-2-(4-aminocyclohexyl)acetic acid;hydrochloride
    • E83416
    • 4-Amino-cyclohexaneacetic acid HCl
    • SCHEMBL4276196
    • Cyclohexaneacetic acid, 4-amino-, hydrochloride, trans-
    • 2-((1r,4r)-4-Aminocyclohexyl)acetic acid hydrochloride
    • MFCD16661170
    • D76125
    • 2-[(1s,4s)-4-aminocyclohexyl]acetic acid hydrochloride
    • SB13899
    • SY343944
    • CS-0039017
    • TRANS-2-(4-AMINOCYCLOHEXYL)ACETIC ACID HCL
    • rel-2-[(1r,4r)-4-aminocyclohexyl]acetic acid hydrochloride
    • 2-(4-aminocyclohexyl)acetic acid;hydrochloride
    • 2-((1s,4s)-4-Aminocyclohexyl)acetic acid hydrochloride
    • DB-354800
    • [(1s,4s)-4-aminocyclohexyl]acetic acid hydrochloride
    • cis-2-(4-Aminocyclohexyl)acetic Acid HCl
    • trans-4-Aminocyclohexaneacetic Acid Hydrochloride
    • MDL: MFCD16661180
    • Inchi: 1S/C8H15NO2.ClH/c9-7-3-1-6(2-4-7)5-8(10)11;/h6-7H,1-5,9H2,(H,10,11);1H
    • InChI Key: UEMUHTQQRCZBRS-UHFFFAOYSA-N
    • SMILES: Cl.OC(CC1CCC(CC1)N)=O

Computed Properties

  • Exact Mass: 193.08700
  • Monoisotopic Mass: 193.0869564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 139
  • 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: 63.3?2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: No data available
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • PSA: 63.32000
  • LogP: 2.48090
  • Vapor Pressure: No data available

trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride Security Information

trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride Pricemore >>

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trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride Production Method

Additional information on trans-2-(4-aminocyclohexyl)acetic acid;hydrochloride

Trans-2-(4-Aminocyclohexyl)Acetic Acid Hydrochloride: A Comprehensive Overview

Trans-2-(4-aminocyclohexyl)acetic acid hydrochloride, identified by the CAS number 76325-96-7, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, which exists as a hydrochloride salt, is characterized by its unique structure, featuring a cyclohexane ring substituted with an amino group and a trans-configured acetic acid moiety. The molecule's stereochemistry plays a crucial role in its biological activity and pharmacokinetic properties.

Recent studies have highlighted the potential of trans-2-(4-aminocyclohexyl)acetic acid hydrochloride as a precursor or intermediate in the synthesis of bioactive compounds. Its ability to participate in various chemical reactions, such as nucleophilic substitutions and condensations, makes it a valuable building block in drug discovery processes. Researchers have explored its applications in the development of peptide-based drugs, where its amino group can serve as a site for further functionalization.

The synthesis of trans-2-(4-aminocyclohexyl)acetic acid hydrochloride typically involves multi-step reactions, including cyclohexane ring formation, substitution reactions, and acid-base neutralization to form the hydrochloride salt. The stereochemistry of the compound is carefully controlled during synthesis to ensure the desired trans configuration, which is critical for its intended applications.

In terms of biological activity, trans-2-(4-aminocyclohexyl)acetic acid hydrochloride has shown promise in preclinical studies as a substrate for enzymes involved in amino acid metabolism. Its interaction with specific enzymes has been investigated to understand its role in metabolic pathways and potential therapeutic interventions. Additionally, the compound's solubility and stability under various conditions have been evaluated to assess its suitability for formulation into pharmaceutical products.

Recent advancements in computational chemistry have enabled researchers to model the molecular interactions of trans-2-(4-aminocyclohexyl)acetic acid hydrochloride with target proteins. These studies provide insights into its binding affinity and selectivity, which are essential for optimizing its use in drug design. Furthermore, the compound's pharmacokinetic profile has been studied to determine its absorption, distribution, metabolism, and excretion (ADME) properties, which are critical for evaluating its potential as a therapeutic agent.

The application of trans-2-(4-aminocyclohexyl)acetic acid hydrochloride extends beyond drug discovery. It has also been utilized as a chiral auxiliary in asymmetric synthesis, where its stereochemistry facilitates the formation of enantiomerically enriched compounds. This approach has proven particularly useful in the synthesis of complex natural products and biologically active molecules.

In conclusion, trans-2-(4-aminocyclohexyl)acetic acid hydrochloride, with its unique structure and versatile properties, continues to be a focal point in chemical research. Its role as a building block in drug discovery, combined with its potential applications in metabolic studies and asymmetric synthesis, underscores its importance in advancing scientific knowledge and therapeutic development.

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