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AM1 calculations were performed for different tautomers-rotamers of isolated neutral and N-aza protonated forms of histamine and its model 4(5)-alkylimidazoles (Me and Et). Rotation of the apolar alkyl group in model compounds has no important influence on the tautomeric equilibrium constant (pK T ) and proton affinities (PA) of individual tautomers. Presence of the polar amino group in the...
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