Spectroscopic and crystallographic characterization of a new cathinone derivative: 1-phenyl-2-(butylamino)hexan-1-one hydrochloride (N-butylhexedrone)

Purpose In this study, a new cathinone derivative, N-butylhexedrone, emerged on new psychoactive substances (NPS) market in Poland was described and characterized. Methods The compound was analyzed by gas chromatography-mass spectrometry, X-ray crystallography and infrared, Raman, ultraviolet-visible and nuclear magnetic resonance spectroscopic approaches. Results We confirmed the presence of the compound in the seized material and obtained detailed and comprehensive physicochemical characterization of N-butylhexedrone-new cathinone derivative available on the NPS market. Conclusions In this study, we presented chromatographic, spectroscopic and crystallographic characterization of a new cathinone derivative that emerged on the NPS market in 2019. The obtained analytical data should be useful for forensic and toxicological purposes in quick and reliable compound identification.