Cas no 21411-81-4 (5-methyl-2-(propan-2-yl)cyclohexan-1-amine)

5-Methyl-2-(propan-2-yl)cyclohexan-1-amine is a cyclohexylamine derivative characterized by its isopropyl and methyl substituents, which influence its steric and electronic properties. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a chiral building block or intermediate. The structural features, including the stereocenters, may lend utility in asymmetric synthesis or ligand design. Its stability under standard conditions and compatibility with common reagents enhance its practicality in laboratory applications. Further, the amine functionality allows for derivatization, enabling the development of more complex molecular architectures. Research-grade purity ensures reproducibility in experimental settings.
5-methyl-2-(propan-2-yl)cyclohexan-1-amine structure
21411-81-4 structure
Product Name:5-methyl-2-(propan-2-yl)cyclohexan-1-amine
CAS No:21411-81-4
MF:C10H21N
MW:155.28044295311
CID:263687
PubChem ID:89497
Update Time:2025-11-02

5-methyl-2-(propan-2-yl)cyclohexan-1-amine Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanamine,5-methyl-2-(1-methylethyl)-
    • 5-methyl-2-propan-2-ylcyclohexan-1-amine
    • 2-(isopropyl)-5-methylcyclohexylamine
    • L-Menthylamine
    • J-010529
    • FT-0612710
    • Maybridge3_000691
    • SB31034
    • SB37452
    • AKOS016900963
    • (1R, 2R, 5S)-NEOMENTHYL AMINE
    • EN300-37524
    • NSC 243755
    • 51743-63-6
    • 7231-40-5
    • Cyclohexanamine, 5-methyl-2-(1-methylethyl)-
    • menthylamin
    • MFCD00038549
    • FT-0771282
    • UNII-ZRS6GYG67V
    • NSC243755
    • Z239626690
    • FT-0679680
    • NS00048306
    • IDI1_012078
    • Menthylamine
    • 5-methyl-2-(propan-2-yl)cyclohexan-1-amine
    • EINECS 218-693-5
    • (1R,2R,5S)-Neomenthylamine
    • SCHEMBL1659593
    • 21411-81-4
    • (1R-(1alpha,2beta,5alpha))-2-(Isopropyl)-5-methylcyclohexylamine
    • DTXSID20903120
    • NSC 7325
    • 2-Isopropyl-5-methylcyclohexylamine
    • 2-Isopropyl-5-methylcyclohexanamine
    • EINECS 244-377-1
    • AKOS000133718
    • 5-Methyl-2-(1-methylethyl)cyclohexanamine
    • L-MENTHYLAMINE, TECH. 85
    • NSC-243755
    • 2-Isopropyl-5-methylcyclohexanamine #
    • ZRS6GYG67V
    • NoName_3716
    • SB45643
    • Neomenthylamine
    • 2-ISOPROPYL-5-METHYLCYCLOHEXAN-1-AMINE
    • G57744
    • Inchi: 1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3
    • InChI Key: RBMUAGDCCJDQLE-UHFFFAOYSA-N
    • SMILES: NC1CC(C)CCC1C(C)C

Computed Properties

  • Exact Mass: 155.16753
  • Monoisotopic Mass: 155.1674
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 120
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26
  • XLogP3: 2.8

Experimental Properties

  • Density: 0.834
  • Boiling Point: 192.8°Cat760mmHg
  • Flash Point: 45.8°C
  • PSA: 26.02
  • LogP: 3.10620

5-methyl-2-(propan-2-yl)cyclohexan-1-amine Security Information

5-methyl-2-(propan-2-yl)cyclohexan-1-amine Pricemore >>

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$ 50.00 2022-06-03
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5-methyl-2-(propan-2-yl)cyclohexan-1-amine Related Literature

Additional information on 5-methyl-2-(propan-2-yl)cyclohexan-1-amine

5-Methyl-2-(propan-2-yl)cyclohexan-1-amine (CAS No. 21411-81-4): Properties, Applications, and Market Insights

5-Methyl-2-(propan-2-yl)cyclohexan-1-amine (CAS No. 21411-81-4) is a cyclohexylamine derivative with significant industrial and research applications. This compound, often referred to as a tertiary amine, features a cyclohexane ring substituted with methyl and isopropyl groups at the 1- and 2-positions, respectively. Its unique structural characteristics contribute to its versatility in organic synthesis and specialty chemical formulations.

The molecular formula of 5-methyl-2-(propan-2-yl)cyclohexan-1-amine is C10H21N, with a molecular weight of 155.28 g/mol. The compound typically appears as a colorless to pale yellow liquid at room temperature, with a characteristic amine odor. Its boiling point ranges between 210-215°C, and it demonstrates moderate solubility in common organic solvents such as ethanol, ether, and dichloromethane. These physical-chemical properties make it particularly useful in various industrial processes.

In recent years, the demand for specialty amines like 5-methyl-2-(propan-2-yl)cyclohexan-1-amine has grown significantly, driven by advancements in pharmaceutical intermediates and agrochemical formulations. Researchers have explored its potential as a chiral building block in asymmetric synthesis, particularly in the development of biologically active compounds. The compound's sterically hindered amine group makes it valuable for creating complex molecular architectures with precise stereochemical control.

The synthesis of CAS 21411-81-4 typically involves the reductive amination of corresponding ketones or the hydrogenation of appropriate imine precursors. Modern synthetic approaches emphasize green chemistry principles, with many manufacturers adopting catalytic hydrogenation methods that minimize waste generation. These sustainable production methods align with current industry trends toward environmentally friendly chemical manufacturing processes.

From an application perspective, 5-methyl-2-(propan-2-yl)cyclohexan-1-amine serves multiple roles across different sectors. In material science, it functions as a corrosion inhibitor additive in lubricants and metalworking fluids. The compound's amine group can coordinate with metal surfaces, forming protective layers that prevent oxidative degradation. Additionally, its hydrophobic isopropyl group enhances the molecule's compatibility with non-polar matrices.

The pharmaceutical industry utilizes 5-methyl-2-(propan-2-yl)cyclohexylamine derivatives in drug discovery programs. Medicinal chemists value its rigid cyclohexane scaffold for designing conformationally restricted bioactive molecules. Recent patent literature reveals its incorporation in central nervous system (CNS) targeting agents, where the amine functionality serves as a crucial pharmacophore. However, all pharmaceutical applications undergo rigorous safety evaluations to ensure compliance with global regulatory standards.

Market analysis indicates steady growth for CAS 21411-81-4 and related cyclohexylamine derivatives. The Asia-Pacific region currently leads in production capacity, with numerous specialty chemical manufacturers offering this compound in both laboratory and bulk quantities. Pricing trends show moderate fluctuations tied to raw material availability, particularly for the precursor ketones used in its synthesis. Quality control specifications typically require ≥98% purity for most industrial applications, with specialized grades available for research purposes.

Handling 5-methyl-2-(propan-2-yl)cyclohexan-1-amine requires standard laboratory safety precautions. While not classified as highly hazardous, proper ventilation and personal protective equipment (gloves, goggles) are recommended during manipulation. Storage conditions should avoid prolonged exposure to air and moisture to prevent amine degradation. The compound's stability profile suggests compatibility with common container materials like stainless steel and certain polymers.

Emerging research directions for 21411-81-4 include its potential in energy storage systems. Preliminary studies investigate its behavior as an electrolyte additive in lithium-ion batteries, where amine compounds can improve battery performance at extreme temperatures. Another innovative application explores its use in carbon capture technologies, leveraging the amine group's affinity for CO2 absorption. These cutting-edge applications position the compound as relevant to contemporary sustainability challenges.

Analytical characterization of 5-methyl-2-(propan-2-yl)cyclohexan-1-amine typically employs gas chromatography (GC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry techniques. Quality assurance protocols emphasize the absence of residual solvents and byproducts from the synthesis process. Advanced analytical methods like chiral HPLC may be employed when stereochemical purity is critical for specific applications.

The regulatory status of CAS 21411-81-4 varies by jurisdiction, but it generally falls under standard industrial chemical classifications. Manufacturers and distributors must provide appropriate safety data sheets (SDS) detailing handling, storage, and disposal information. Environmental fate studies indicate moderate biodegradability, with recommended wastewater treatment measures for industrial effluents containing this compound.

Future prospects for 5-methyl-2-(propan-2-yl)cyclohexylamine appear promising, particularly in advanced material applications. The compound's molecular features make it a candidate for developing smart polymers and responsive materials. Research continues into optimizing its production through biocatalytic routes, potentially offering more sustainable manufacturing alternatives. As industries seek specialized chemical solutions, this cyclohexylamine derivative maintains relevance across multiple technological sectors.

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