CAS 1311315-35-1

Benzeneethanamine, β-methyl-2-(trifluoromethyl)-, hydrochloride (1:1)

Description:

Benzeneethanamine, β-methyl-2-(trifluoromethyl)-, hydrochloride (1:1), with the CAS number 1311315-35-1, is a chemical compound characterized by its amine functional group and the presence of a trifluoromethyl group, which significantly influences its chemical properties. This compound typically appears as a white to off-white crystalline solid and is soluble in polar solvents due to the hydrochloride salt form. The trifluoromethyl group enhances the lipophilicity and metabolic stability of the molecule, making it of interest in pharmaceutical applications. Its structure suggests potential biological activity, particularly in the context of drug design, where such modifications can affect receptor binding and pharmacokinetics. As with many amines, it may exhibit basic properties, and its hydrochloride form indicates it can form salts with acids, which can be advantageous for stability and solubility in various formulations. Safety data should be consulted for handling and potential toxicity, as compounds with trifluoromethyl groups can exhibit unique environmental and health impacts.

Formula: C₁₀H₁₂F₃N·ClH

InChI: InChI=1S/C10H12F3N.ClH/c1-7(6-14)8-4-2-3-5-9(8)10(11,12)13;/h2-5,7H,6,14H2,1H3;1H

InChI key: InChIKey=APURCDQYHROPSW-UHFFFAOYSA-N

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

Synonyms:

• Benzeneethanamine, β-methyl-2-(trifluoromethyl)-, hydrochloride (1:1)