CAS 1181458-06-9

Benzenemethanol, α-(aminomethyl)-4-(trifluoromethyl)-, ethanedioate (2:1)

Description:

Benzenemethanol, α-(aminomethyl)-4-(trifluoromethyl)-, ethanedioate (2:1), with CAS number 1181458-06-9, is a chemical compound characterized by its complex structure that includes a benzene ring substituted with a trifluoromethyl group and an aminomethyl group. The presence of the ethanedioate moiety indicates that it forms a salt or ester with ethanoic acid, contributing to its potential reactivity and solubility properties. This compound may exhibit unique biological activities due to the trifluoromethyl group, which can enhance lipophilicity and influence pharmacokinetics. Additionally, the aminomethyl group suggests potential for hydrogen bonding and interaction with biological targets. The compound's characteristics, such as melting point, boiling point, and solubility, would depend on its specific molecular interactions and the presence of functional groups. Overall, this substance may have applications in pharmaceuticals or agrochemicals, but detailed studies would be necessary to fully understand its properties and potential uses.

Formula: C₉H₁₀F₃NOC₂H₂O₄

InChI: InChI=1S/C9H10F3NO.C2H2O4/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13;3-1(4)2(5)6/h1-4,8,14H,5,13H2;(H,3,4)(H,5,6)

InChI key: InChIKey=NRDDEXRBPKXFDG-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC=C(C(CN)O)C=C1.C(C(O)=O)(O)=O

Synonyms:

• Benzenemethanol, α-(aminomethyl)-4-(trifluoromethyl)-, ethanedioate (2:1)