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Revista de la Sociedad Química de México
Print version ISSN 0583-7693
Abstract
SIERRA-ZENTENO, Araceli; GALAN-VIDAL, Carlos A. and TAPIA-BENAVIDES, Rafael. Acid-base equilibrium studies of 2-(aminomethyl)benzimidazole in aqueous solution. Rev. Soc. Quím. Méx [online]. 2002, vol.46, n.2, pp.125-130. ISSN 0583-7693.
The acid-base equilibrium constants of the 2-(aminomethyl)benzimidazole 2AMBZ in aqueous solutions have been determined at 25 °C by means of nuclear magnetic resonance spectroscopy (13C NMR), and corroborated by potentiometric and spectrophotometric techniques. pKa values were obtained from experimental data using the computer programs HypNMR, SUPERQUAD and SQUAD respectively, finding pKa1 = 3.103 ± 0.079, pKa2 = 7.624 ± 0.063 and pKa3 = 12.540 ± 0.038 by NMR at variable ionic strength. Likewise, it was possible determine the deprotonation mechanism of 2AMBZ.
Keywords : 2-(aminomethyl)benzimidazole; pKa; HypNMR; SUPERQUAD; SQUAD.