1-Azido-2-Nitro-2-Azapropane (ANAP)

Thermodynamic and explosive properties of 1-azido-2-nitro-2-azapropane (ANAP) have been determined in a combined computational ab initio and EXPLO5 (Becker—Kistiakowsky—Wilson equation of state, BKW EOS) study. The enthalpy of formation of ANAP in the liquid phase, heat of detonation, detonation pressure and detonation velocity of ANAP were calculated. ANAP compounds were characterized using vibrational (IR and Raman) and multinuclear NMR spectroscopy, elemental analysis and low-temperature single crystal X-ray diffraction. ANAP represents a covalently bound liquid energetic material which contains both a nitramine unit and an azide group in the molecule.