Cas no 827042-23-9 (N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride)

N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride is a benzotriazole derivative with applications in organic synthesis and pharmaceutical research. Its structural features, including the dimethylcarboximidamide group and benzotriazole core, contribute to its utility as a versatile intermediate or reagent in heterocyclic chemistry. The monohydrochloride form enhances stability and solubility, facilitating handling in synthetic processes. This compound may serve as a precursor for the development of biologically active molecules or functional materials. Its well-defined chemical properties and purity make it suitable for controlled reactions in academic and industrial settings. Proper storage under anhydrous conditions is recommended to maintain its integrity.
N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride structure
827042-23-9 structure
Product Name:N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride
CAS No:827042-23-9
MF:C9H12ClN5
MW:225.678079605103
CID:715948
PubChem ID:46781356
Update Time:2025-06-13

N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzotriazole-1-carboximidamide,N,N-dimethyl-, hydrochloride (1:1)
    • N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride
    • N,N-dimethylbenzotriazole-1-carboximidamide,hydrochloride
    • N,N-dimethylbenzotriazole-1-carboximidamide;hydrochloride
    • DTXSID20675855
    • N,N-DIMETHYL-1H-1,2,3-BENZOTRIAZOLE-1-CARBOXIMIDAMIDE HYDROCHLORIDE
    • 827042-23-9
    • FT-0667325
    • N,N-Dimethyl-1H-benzotriazole-1-carboximidamide--hydrogen chloride (1/1)
    • AKOS030255887
    • DB-308776
    • Inchi: 1S/C9H11N5.ClH/c1-13(2)9(10)14-8-6-4-3-5-7(8)11-12-14;/h3-6,10H,1-2H3;1H
    • InChI Key: MUAWFZBFDXNBIU-UHFFFAOYSA-N
    • SMILES: Cl.N1(C(=N)N(C)C)C2C=CC=CC=2N=N1

Computed Properties

  • Exact Mass: 225.07800
  • Monoisotopic Mass: 225.078
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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: 57.8A^2

Experimental Properties

  • Melting Point: 166-170°C
  • PSA: 57.80000
  • LogP: 1.67750

N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride Security Information

  • Storage Condition:Hygroscopic, -20°C Freezer, Under Inert Atmosphere

N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride Pricemore >>

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Additional information on N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride

Recent Advances in the Study of N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride (CAS: 827042-23-9)

N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride (CAS: 827042-23-9) is a chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug discovery and development. This research briefing aims to provide an overview of the latest findings related to this compound, including its synthesis, biological activity, and therapeutic potential.

Recent studies have focused on the synthesis and optimization of N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride, with particular emphasis on improving yield and purity. Advanced spectroscopic techniques, such as NMR and mass spectrometry, have been employed to characterize the compound and confirm its structural integrity. These efforts are critical for ensuring the reproducibility and scalability of the synthesis process, which is essential for further pharmacological evaluations.

In terms of biological activity, preliminary in vitro studies have demonstrated that N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride exhibits promising inhibitory effects against certain enzymes and receptors implicated in disease pathways. For instance, research has shown that the compound can modulate the activity of kinases involved in inflammatory and oncogenic processes. These findings suggest potential applications in the treatment of conditions such as cancer and autoimmune diseases.

Further investigations into the compound's mechanism of action have revealed its ability to interact with specific molecular targets, leading to the disruption of key signaling pathways. Molecular docking studies and computational modeling have provided insights into the binding interactions between the compound and its targets, offering a foundation for the design of more potent and selective derivatives. These computational approaches are complemented by experimental validations, ensuring the reliability of the predicted interactions.

Despite these promising results, challenges remain in translating the findings from bench to bedside. Issues such as bioavailability, metabolic stability, and potential toxicity need to be addressed through comprehensive preclinical studies. Recent efforts have focused on optimizing the pharmacokinetic properties of N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride, with the aim of enhancing its therapeutic index and minimizing off-target effects.

In conclusion, N,N-Dimethyl-1H-benzotriazole-1-carboximidamide Monohydrochloride represents a valuable scaffold for the development of novel therapeutics. Ongoing research is expected to further elucidate its pharmacological profile and explore its potential in clinical applications. The integration of synthetic chemistry, computational biology, and experimental pharmacology will be crucial for advancing our understanding of this compound and its derivatives.

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