CAS 91817-70-8

Benzenemethanamine, N-(2-chloroethyl)-4-fluoro-N-methyl-, hydrochloride (1:1)

Description:

Benzenemethanamine, N-(2-chloroethyl)-4-fluoro-N-methyl-, hydrochloride (1:1), commonly referred to by its CAS number 91817-70-8, is a chemical compound characterized by its amine functional group and the presence of a chloroethyl substituent. This compound features a benzene ring substituted with a fluorine atom at the para position and a methyl group attached to the nitrogen atom of the amine. As a hydrochloride salt, it is typically encountered in a solid form, which enhances its stability and solubility in aqueous solutions. The presence of the chloroethyl group suggests potential reactivity, particularly in nucleophilic substitution reactions. This compound may be of interest in medicinal chemistry and pharmacology due to its structural features, which could influence biological activity. Safety data should be consulted for handling, as compounds with halogenated substituents can exhibit toxicity or environmental concerns. Overall, its unique structure positions it as a candidate for further research in various chemical applications.

Formula: C₁₀H₁₃ClFN·ClH

InChI: InChI=1S/C10H13ClFN.ClH/c1-13(7-6-11)8-9-2-4-10(12)5-3-9;/h2-5H,6-8H2,1H3;1H

InChI key: InChIKey=ILJLPKAFMYLYBA-UHFFFAOYSA-N

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

Synonyms:

• (2-Chloroethyl)[(4-fluorophenyl)methyl]methylamine hydrochloride
• Benzylamine, N-(2-chloroethyl)-p-fluoro-N-methyl-, hydrochloride
• Benzenemethanamine, N-(2-chloroethyl)-4-fluoro-N-methyl-, hydrochloride (1:1)

(2-Chloroethyl)[(4-fluorophenyl)methyl]methylamine hydrochloride

CAS: 91817-70-8

Versatile small molecule scaffold

Formula: C₁₀H₁₄Cl₂FN

Purity: Min. 95%

Molecular weight: 238.13 g/mol

Ref: 3D-RDA81770