Barczynski, P.; Dega-Szafran, Z.; Dulewicz, E.; Petryna, M.; Szafran, M. published an article about the compound: 1-Piperidineacetic Acid( cas:3235-67-4,SMILESS:OC(=O)CN1CCCCC1 ).Application of 3235-67-4. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:3235-67-4) through the article.
The pKa values of 5 [cyclo-(CH2)5N+]Me(CH2)nCO2- (N-methylpiperidinium betaines) and 5 [cyclo-(CH2)5N](CH2)nCO2H were determined by potentiometric titration of their hydrohalides with KOH. Semiempirical geometry optimizations were performed for gaseous betaines. Four conformers were characterized and their PA values estimated The PA values fulfilled the linear correlation with the aqueous pKa values estimated by P. Barczynski et al. (1998). A linear correlation between the calculated heat of formation (ΔHf) and the sum of the N…O1 and N…O2 distances, for the conformers containing the same number of CH2 groups, indicates that they are stabilized by the intramol. electrostatic interactions between the pos. charged nitrogen atom and oxygen atoms of the carboxylate group.
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Reference:
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem