CAS 893641-12-8

α,3,5-Trimethyl-4-isoxazolemethanamine

Description:

α,3,5-Trimethyl-4-isoxazolemethanamine, identified by its CAS number 893641-12-8, is a chemical compound characterized by its unique isoxazole ring structure, which contributes to its potential biological activity. This compound features a methanamine group, indicating the presence of an amine functional group, which can participate in various chemical reactions and interactions. The presence of three methyl groups at the 3, 4, and 5 positions of the isoxazole ring enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. Such structural characteristics may suggest applications in pharmaceuticals or agrochemicals, where modifications to the isoxazole framework can lead to diverse biological effects. Additionally, the compound's stability, reactivity, and interaction with other molecules can be influenced by the electronic properties imparted by the methyl substituents. Overall, α,3,5-Trimethyl-4-isoxazolemethanamine represents a compound of interest for further research in medicinal chemistry and related fields.

Formula: C₇H₁₂N₂O

InChI: InChI=1S/C7H12N2O/c1-4(8)7-5(2)9-10-6(7)3/h4H,8H2,1-3H3

InChI key: InChIKey=FZJLBPYJNDDVPQ-UHFFFAOYSA-N

SMILES: C(C)(N)C=1C(C)=NOC1C

Synonyms:

• α,3,5-Trimethyl-4-isoxazolemethanamine
• 4-Isoxazolemethanamine, α,3,5-trimethyl-
• 1-(Dimethyl-1,2-oxazol-4-yl)ethan-1-amine