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Cyanuric chloride derivative

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Identification
Molecular formula
C18H16N8
CAS number
4420-74-0
IUPAC name
3-[[4-[bis(2-cyanoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propanenitrile
State
State

At room temperature, the compound is typically in a solid state.

Melting point (Celsius)
205.00
Melting point (Kelvin)
478.15
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.15
General information
Molecular weight
327.35g/mol
Molar mass
327.3530g/mol
Density
1.2800g/cm3
Appearence

The compound is typically a pale yellow solid. It is generally obtainable as a powder.

Comment on solubility

Solubility of 3-[[4-[bis(2-cyanoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propanenitrile

The solubility characteristics of the compound 3-[[4-[bis(2-cyanoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propanenitrile are influenced by its structural attributes and the presence of functional groups. Here are some important points regarding its solubility:

  • Polarity: The presence of multiple cyanoethyl groups suggests that the compound may possess significant polarity, which can influence its solubility in polar solvents.
  • Solvent Interaction: This compound might demonstrate better solubility in polar aprotic solvents, such as dimethyl sulfoxide (DMSO) or acetonitrile, due to the ability of these solvents to stabilize ionic interactions.
  • Hydrogen Bonding: It’s worth considering that the amine functionalities could participate in hydrogen bonding, further enhancing solubility in certain environments.

However, this compound's intricate structure may also lead to limitations regarding solubility in non-polar solvents. The balance between hydrophilic and hydrophobic characteristics is crucial, and thus, solubility may vary widely across different conditions. As a general rule, "like dissolves like", so choosing the appropriate solvent is key for achieving desired solubility traits.

Interesting facts

Interesting Facts about 3-[[4-[bis(2-cyanoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propanenitrile

This compound is a fascinating example of complex organic chemistry, showcasing both structural and functional diversity. Here are several intriguing facts:

  • Triazine Backbone: The compound prominently features a triazine ring, which is a six-membered aromatic heterocycle containing three nitrogen atoms. This structure is significant due to its role in various applications, particularly in agriculture and pharmaceuticals.
  • Versatile Functional Groups: The bis(2-cyanoethyl)amino substituents contribute to the compound's unique properties. The presence of cyano groups enhances reactivity and can give rise to interesting chemical behavior, making this compound a potential candidate for various reactions.
  • Biological Activity: Compounds of this nature often exhibit biological activity that can be explored for therapeutic purposes. The structural motifs associated with triazines can lead to anti-cancer properties, as many drugs are now designed to target specific pathways in cancer biology.
  • Multifaceted Applications: Due to its unique properties, this compound could have applications in:
    • Agricultural chemistry, as a potential herbicide or pesticide
    • Materials science, particularly in the development of novel polymers or coatings
    • Pharmaceutical development, for its potential role in drug formulations targeting specific diseases
  • Synthetic Pathways: The synthesis of triazines generally involves various methods such as cyclization reactions, which require careful control of reaction conditions to achieve desired yields. Understanding these pathways is essential for chemists aiming to modify or create new derivatives.

In summary, 3-[[4-[bis(2-cyanoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propannenitrile illustrates the intricacies of modern organic synthesis and its potential implications in multiple scientific arenas. This compound captures the fundamental beauty and complexity of chemical research.

Synonyms
3786-23-0
WLN: T6N CN ENJ BN2CN&2CN DR& FN2CN&2CN
NSC407912
DTXSID20274640
NSC-407912
s-Triazine,4-bis[bis(2-cyanoethyl)amino]-6-phenyl-
3,3',3'',3'''-[(6-Phenyl-1,3,5-triazine-2,4-diyl)dinitrilo]tetrapropanenitrile
Propionitrile,3',3'',3'''-[(6-phenyl-s-triazine-2,4-diyl)dinitrilo]tetra-