Conformational equilibria of ethanolamine and its hydrochloride in solution.
The conformational preferences of ethanolamine and its hydrochloride in solution were estimated by comparing experimental NMR vicinal proton-proton coupling constants to semiemprical coupling constants for each staggered rotamer, derived by the Haasnoot-Altona method. Strong gauche preferences are observed for both ethanolamine and its hydrochloride over a wide range of solvent polarities. Concentration was not observed to significantly affect the position of the conformer equilibria.
Smith
Tim D
TD
Gates and Crellin Laboratories of Chemistry, California Institute of Technology, Pasadena, California 91125, USA.
Gerken
James B
JB
Jog
Parag V
PV
Roberts
John D
JD
D019856:Ethanolamine / Q000737:chemistry*; D015394:Molecular Structure; D012996:Solutions / Q000737:chemistry
D012996:Solutions; D019856:Ethanolamine