Chemical and Toxicological Hazard Assessment when Handling Rocket Fuel 2-dimethylaminoethylazide and its Derivatives

The hazard was studied related to toxic effects on the production personnel of the aerospace industry for the experimental rocket fuels of 2-dimethylaminoethylazide and its derivatives — 2-azido-N-methylethanamine and 2-azido-N-cyclopropylethanamine used for liquid propellant rocket engines. The calculation and analysis of physical and chemical constants that characterize the bioavailability of substances based on the rules of N.V. Lazarev, С.A. Lipinsky, and S.M. Jorgensen are made. Pharmacophore analysis and search for active sites of a number of receptors related to carcinogenesis, psychotropic and nerve processes, and the cardiovascular system were performed in the Schrödinger software package. Molecular docking of the receptors and the studied compounds was performed, and the results were analyzed in AutoDock Vina. The values are determined concerning approximately safe exposure levels, hazard classes of substances, and the maximum possible concentrations (volatility) of the rocket fuels that occur in the event of an emergency leak. Through the use of probit method the assessment was related to the immediate non-carcinogenic health risks that service personnel are exposed to in the event of accidental fuel leaks (irritating effect, diseases of the respiratory, nervous, and cardiovascular systems). The results have practical application in the search and synthesis of the rocket fuels - safe analogues of the more toxic heptyl (1,1-dimethylhydrazine), the use of which leads to the development of occupational diseases in the operating personnel and environmental pollution by the aerospace industry facilities.