Abstract The new organic nonlinear optical material, L-Asparagine Cetrimonium Bromide (LACB) was synthesized by using slow evaporation method at ambient conduction. The crystallographic data was analyzed by single crystal X-ray diffraction (XRD) and crystalline perfection was studied under high resolution powder X-ray diffraction technique. The functional groups were found out by FT-IR spectroscopy and various optical parameters were performed by using UV–Vis NIR spectroscopy. In fluorescence spectrum the sharp emission peak was observed at 529 nm it reveals the green emission. The second harmonic generation efficiency was determined by the Kurtz powder method using Nd-YAG laser. The laser induced damage threshold value was found to be higher than most of the reported organic single crystals. The dielectric permittivity and dielectric loss were analyzed as a function of frequency. The photoconductivity study implies that the grown crystal has positive photoconductive nature. Different mechanical properties were analyzed by Vickers microhardness test.