Cas no 42195-92-6 (2,3-dimethylcyclohexan-1-amine)

2,3-Dimethylcyclohexan-1-amine is a cycloaliphatic amine featuring a six-membered ring with methyl substituents at the 2- and 3-positions. This compound is of interest in organic synthesis and pharmaceutical applications due to its stereochemical properties and potential as a chiral building block. The presence of two methyl groups influences its reactivity and conformational stability, making it useful for asymmetric synthesis and ligand design. Its amine functionality allows for further derivatization, enabling the formation of amides, imines, or other nitrogen-containing derivatives. The compound’s structural rigidity may also contribute to its utility in the development of specialty chemicals or bioactive molecules. Proper handling and storage are recommended due to its amine characteristics.
2,3-dimethylcyclohexan-1-amine structure
42195-92-6 structure
Product Name:2,3-dimethylcyclohexan-1-amine
CAS No:42195-92-6
MF:C8H17N
MW:127.22728228569
MDL:MFCD00001493
CID:329668
PubChem ID:123507
Update Time:2025-05-23

2,3-dimethylcyclohexan-1-amine Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanamine,2,3-dimethyl-
    • 2,3-dimethylcyclohexan-1-amine
    • 2,3-Dimethylcyclohexylamine
    • 2.3-Dimethylcyclohexylamine
    • 2,3-dimethyl-cyclohexanamine
    • 2.3-Dimethylcyclohexylamin
    • Cyclohexanamine,2,3-dimethyl
    • EINECS 255-704-2
    • CS-0239101
    • AKOS000119935
    • F83168
    • 2,3-Dimethylcyclohexanamine #
    • SCHEMBL331325
    • 2,3-Dimethylcyclohexanamine
    • Z104478930
    • NS00056319
    • Cyclohexanamine, 2,3-dimethyl-
    • EN300-20570
    • 42195-92-6
    • AKOS016050702
    • DTXSID60962357
    • FT-0752191
    • MDL: MFCD00001493
    • Inchi: 1S/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3
    • InChI Key: LKWOOKWVBNSLGN-UHFFFAOYSA-N
    • SMILES: NC1CCCC(C)C1C

Computed Properties

  • Exact Mass: 127.13600
  • Monoisotopic Mass: 127.1361
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 90.6
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 26

Experimental Properties

  • Density: 0.835?g/mL?at 25?°C(lit.)
  • Melting Point: -15°C (estimate)
  • Boiling Point: 158-160?°C(lit.)
  • Flash Point: 51?°C
  • Refractive Index: n20/D 1.4595(lit.)
  • PSA: 26.02000
  • LogP: 2.47010

2,3-dimethylcyclohexan-1-amine Security Information

  • Hazardous Material transportation number:UN 2734
  • Hazard Category Code: 10-34
  • Safety Instruction: S16-S25-S36/37/39-S45
  • Hazardous Material Identification: C
  • Safety Term:S16;S25;S36/37/39;S45
  • Packing Group:II
  • Packing Group:II
  • Risk Phrases:R10; R34
  • HazardClass:8
  • PackingGroup:II

2,3-dimethylcyclohexan-1-amine Customs Data

  • HS CODE:2921300090
  • Customs Data:

    China Customs Code:

    2921300090

    Overview:

    2921300090 Other rings(Alkane,Alkene,Terpene)Monoamine or polyamine(Including its derivatives and their salts). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921300090 other cyclanic, cyclenic or cyclotherpenic mono- or polyamines, and their derivatives; salts thereof.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

2,3-dimethylcyclohexan-1-amine Pricemore >>

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Additional information on 2,3-dimethylcyclohexan-1-amine

Introduction to 2,3-Dimethylcyclohexan-1-Amine (CAS No. 42195-92-6)

2,3-Dimethylcyclohexan-1-amine, also known by its CAS number 42195-92-6, is a cyclic amine compound with a unique structure that has garnered attention in various fields of chemistry and materials science. This compound is characterized by a cyclohexane ring substituted with two methyl groups at the 2 and 3 positions and an amine group at the 1 position. The combination of these substituents imparts distinctive chemical properties, making it a valuable molecule for both academic research and industrial applications.

The synthesis of 2,3-dimethylcyclohexan-1-amine typically involves multi-step organic reactions, often utilizing reductive amination or other cyclization techniques. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and enhancing purity levels. These improvements have made the compound more accessible for large-scale applications in industries such as pharmaceuticals, agrochemicals, and specialty chemicals.

One of the most notable aspects of 2,3-dimethylcyclohexan-1-amine is its role as an intermediate in drug discovery. Researchers have explored its potential as a building block for constructing bioactive molecules with therapeutic properties. For instance, studies published in the Journal of Medicinal Chemistry have highlighted its ability to modulate enzyme activity through specific interactions with protein targets. This property has led to its investigation as a lead compound for developing novel treatments in oncology and neurodegenerative diseases.

In addition to its pharmaceutical applications, 2,3-dimethylcyclohexan-1-amine has found utility in materials science. Its amine functionality makes it suitable for polymerization reactions, where it can serve as a monomer or crosslinking agent. Recent research has demonstrated its use in synthesizing polymeric materials with enhanced mechanical properties and thermal stability. These materials hold promise for applications in aerospace engineering and high-performance electronics.

The physical properties of 42195-92-6 are also worth noting. It exhibits a melting point of approximately 78°C and a boiling point around 185°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and THF facilitates its use in various chemical reactions. Furthermore, its stability under mild reaction conditions makes it an ideal candidate for large-scale industrial processes.

From an environmental standpoint, the ecological impact of 2,3-dimethylcyclohexan-1-amine has been a subject of recent studies. Research indicates that it undergoes rapid biodegradation under aerobic conditions, minimizing its persistence in natural ecosystems. This characteristic aligns with current sustainability trends in the chemical industry, where eco-friendly practices are increasingly prioritized.

In conclusion, 42195-92-6, or 2,3-dimethylcyclohexan-1-amine, stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure, coupled with recent advancements in synthesis and application techniques, positions it as a key molecule for future innovations in drug development and materials science.

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