CAS 1220020-52-9

Pyrrolidine, 3-[[2-nitro-4-(trifluoromethyl)phenoxy]methyl]-, hydrochloride (1:1)

Description:

Pyrrolidine, 3-[[2-nitro-4-(trifluoromethyl)phenoxy]methyl]-, hydrochloride (1:1) is a chemical compound characterized by its pyrrolidine backbone, which is a five-membered saturated heterocyclic amine. The presence of a nitro group and a trifluoromethyl group on the phenoxy moiety contributes to its unique chemical properties, including increased lipophilicity and potential biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in various applications, particularly in pharmaceutical formulations. The compound may exhibit specific pharmacological effects due to its structural features, making it of interest in medicinal chemistry. Its CAS number, 1220020-52-9, allows for precise identification and retrieval of information regarding its properties, safety data, and regulatory status. Overall, this compound's distinctive functional groups and structural characteristics suggest potential applications in drug development and research.

Formula: C₁₂H₁₃F₃N₂O₃·ClH

InChI: InChI=1S/C12H13F3N2O3.ClH/c13-12(14,15)9-1-2-11(10(5-9)17(18)19)20-7-8-3-4-16-6-8;/h1-2,5,8,16H,3-4,6-7H2;1H

InChI key: InChIKey=KDVHXTYKJBGIGR-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(OCC2CCNC2)C=CC(C(F)(F)F)=C1.Cl

Synonyms:

• Pyrrolidine, 3-[[2-nitro-4-(trifluoromethyl)phenoxy]methyl]-, hydrochloride (1:1)