Denatonium benzoate (bitrex)

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Identification

Molecular formula
C28H34N2O3
CAS Number
3734-33-6
IUPAC Name
N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butanamide;2,4,6-trinitrophenolate
Molecular Weight
394.40g/mol
Melting Point
(Celsius)
Boiling Point
(Celsius)
Density
1.3800g/cm3
Synonyms
N-(2-(1-Benzimidazolyl)ethyl)-3-methyl-butyramide monopicrate
Interesting facts

Interesting Facts about N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butanamide; 2,4,6-trinitrophenolate

N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butanamide; 2,4,6-trinitrophenolate, often referred to in a simpler context as a derivative of benzimidazole, is a fascinating compound due to its unique structural features and potential applications. Here are some intriguing aspects of this compound:

  • Structural Complexity: This compound showcases a complex arrangement of functional groups that includes a benzimidazole moiety and a trinitrophenolate ion. This structural diversity allows for a wide range of chemical behaviors and interactions.
  • Potential Biological Activity: Compounds containing the benzimidazole scaffold are known for their pharmacological properties. Many derivatives are explored as antimicrobial agents, anti-cancer drugs, and anti-inflammatory agents, making this a compound of significant interest in medicinal chemistry.
  • Role of Nitro Groups: The presence of multiple nitro groups in the trinitrophenolate suggests potential for explosive properties, but in organic chemistry, they also enhance reactivity and can contribute to the compound's biological activity through mechanisms like nitroreduction.
  • Solubility Considerations: The combination of hydrophobic and hydrophilic character in this molecule can lead to interesting solubility profiles, enabling applications in drug formulation and delivery systems.
  • Research Potential: Due to its unique blend of features, this compound remains a point of interest for ongoing research, with scientists looking into its mechanisms of action, synthesis routes, and therapeutic potential.

In summary, N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methyl-butanamide; 2,4,6-trinitrophenolate is not only structurally intriguing but also potentially valuable in various fields, particularly in pharmacology. As research continues, this compound may unveil new pathways in drug development and materials science.

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