Cas no 13805-21-5 (4,5-Dimethyl-1H-imidazol-2-amine)

4,5-Dimethyl-1H-imidazol-2-amine is a heterocyclic organic compound featuring an imidazole core substituted with methyl groups at the 4 and 5 positions and an amine group at the 2 position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its stability and well-defined chemical properties facilitate precise modifications in medicinal chemistry, particularly in the development of bioactive molecules. The compound’s high purity and consistent performance enhance its utility in research and industrial applications. Its versatility in forming derivatives underscores its importance in constructing complex heterocyclic frameworks for targeted applications.
4,5-Dimethyl-1H-imidazol-2-amine structure
13805-21-5 structure
Product Name:4,5-Dimethyl-1H-imidazol-2-amine
CAS No:13805-21-5
MF:C5H9N3
MW:111.145060300827
MDL:MFCD09909728
CID:855774
PubChem ID:12485920
Update Time:2025-11-02

4,5-Dimethyl-1H-imidazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dimethyl-1H-imidazol-2-amine
    • 4,5-Dimethyl-2-amine-1H-imidazol
    • 2-Amnio-4,5-dimethyl-1H-imidazole
    • 4,5-dimethyl-1H-imidazol-2-ylamine
    • 1H-Imidazol-2-amine,4,5-dimethyl
    • 2-Amino-4,5-dimethylimidazol
    • 2-AMINO-4,5-DIMETHYLIMIDAZOLE
    • 4,5-Dimethyl-2-amino-imidazol
    • 1H-Imidazol-2-amine,4,5-dimethyl-(9CI)
    • 1H-Imidazol-2-amine, 4,5-dimethyl-
    • JUWWVCSNLLWQBL-UHFFFAOYSA-N
    • 6648AA
    • AB54790
    • ST24042605
    • C72528
    • DTXSID80500033
    • imidazole, 2-amino-4,5-dimethyl-
    • CS-0186915
    • 13805-21-5
    • AS-61676
    • EN300-151120
    • MFCD09909728
    • AKOS006313374
    • SCHEMBL12134791
    • SCHEMBL215067
    • MDL: MFCD09909728
    • Inchi: 1S/C5H9N3/c1-3-4(2)8-5(6)7-3/h1-2H3,(H3,6,7,8)
    • InChI Key: JUWWVCSNLLWQBL-UHFFFAOYSA-N
    • SMILES: N1C(N)=NC(C)=C1C

Computed Properties

  • Exact Mass: 111.08000
  • Monoisotopic Mass: 111.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 83.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.7
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 319.9°C at 760 mmHg
  • Flash Point: 173.2±15.9 °C
  • PSA: 54.70000
  • LogP: 1.18990
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

4,5-Dimethyl-1H-imidazol-2-amine Security Information

4,5-Dimethyl-1H-imidazol-2-amine Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4,5-Dimethyl-1H-imidazol-2-amine Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:13805-21-5)4,5-Dimethyl-1H-imidazol-2-amine
Order Number:A886322
Stock Status:in Stock
Quantity:250mg/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:17
Price ($):197.0/466.0

Additional information on 4,5-Dimethyl-1H-imidazol-2-amine

Professional Introduction to 4,5-Dimethyl-1H-imidazol-2-amine (CAS No. 13805-21-5)

4,5-Dimethyl-1H-imidazol-2-amine, identified by the Chemical Abstracts Service Number (CAS No.) 13805-21-5, is a heterocyclic organic compound belonging to the imidazole family. This compound has garnered significant attention in the field of pharmaceutical chemistry and medicinal research due to its versatile structural framework and potential biological activities. The presence of two methyl groups at the 4 and 5 positions, along with an amine functional group at the 2 position, imparts unique chemical properties that make it a valuable scaffold for drug discovery and development.

The imidazole core is a well-documented motif in bioactive molecules, frequently found in natural products and synthetic drugs. Its aromaticity and ability to form hydrogen bonds make it an ideal candidate for interactions with biological targets such as enzymes and receptors. In particular, 4,5-Dimethyl-1H-imidazol-2-amine has been explored for its potential applications in the synthesis of bioactive derivatives, including kinase inhibitors, antimicrobial agents, and other therapeutic compounds.

Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 4,5-Dimethyl-1H-imidazol-2-amine and biological targets. Studies have demonstrated that modifications to the imidazole ring can significantly alter binding affinity and selectivity. For instance, derivatives of this compound have shown promise in inhibiting specific kinases involved in cancer pathways. The ability to fine-tune the structure through strategic functionalization makes 4,5-Dimethyl-1H-imidazol-2-amine a compelling candidate for further investigation.

The pharmaceutical industry has increasingly relied on heterocyclic compounds like imidazoles due to their broad spectrum of biological activities. 4,5-Dimethyl-1H-imidazol-2-amine serves as a versatile building block for the synthesis of more complex molecules. Researchers have leveraged its structural features to develop novel therapeutic agents targeting various diseases. For example, recent studies have highlighted its role in designing compounds with anti-inflammatory properties by incorporating additional pharmacophores into the imidazole scaffold.

In addition to its pharmaceutical applications, 4,5-Dimethyl-1H-imidazol-2-amine has found utility in materials science and catalysis. Its ability to act as a ligand in coordination chemistry has been exploited for designing metal complexes with catalytic activity. These complexes have been employed in various transformations, including cross-coupling reactions and oxidation processes, underscoring the compound's versatility beyond traditional medicinal chemistry applications.

The synthesis of 4,5-Dimethyl-1H-imidazol-2-amine typically involves multi-step organic reactions starting from readily available precursors. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making it more accessible for industrial applications. The compound's stability under various reaction conditions further enhances its appeal as a synthetic intermediate.

From a regulatory perspective, 4,5-Dimethyl-1H-imidazol-2-amine (CAS No. 13805-21-5) is not classified as a hazardous or controlled substance under current international regulations. This classification simplifies its handling and commercial distribution while ensuring compliance with safety standards in laboratory and industrial settings.

Future research directions for 4,5-Dimethyl-1H-imidazol-2-amine include exploring its potential in drug repurposing initiatives. By re-evaluating existing literature and leveraging computational tools, scientists may uncover new therapeutic applications for this compound or its derivatives. Additionally, green chemistry principles are being increasingly integrated into synthetic protocols to minimize environmental impact while maintaining high yields and purity standards.

In conclusion,4,5-Dimethyl-1H-imidazol-2-amineseems poised to remain a cornerstone in pharmaceutical research due to its structural versatility and broad range of potential applications. As our understanding of biological systems continues to evolve, this compound will undoubtedly play a significant role in the development of next-generation therapeutics.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:13805-21-5)4,5-Dimethyl-1H-imidazol-2-amine
A886322
Purity:99%/99%
Quantity:250mg/1g
Price ($):197.0/466.0
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