Ab-initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. Part IV. Decomposition of the α-hydroxynitrosamine

Ab-initio calculations using a split-valence basis set are reported on the decomposition of the α-hydroxynitrosamine. The decomposition in acid, alkali, lipid and aqueous media is considered. It is concluded that the monoalkylnitrosamine is not a favoured decomposition product, and that the reaction proceeds most readily under alkaline conditions.