The single crystal of cyclohexylammonium hydrogen maleate hemihydrate (CYHMH) developed using slow solvent vaporization technique in distilled water solvent. The crystal structure of CYHMH was in monoclinic structure with space group C12/C. The CYHMH single crystal structure consists of an individual cyclohexylamine and an independent maleic acid molecule with all atoms placed in general positions. The prepared CYHMH single crystal was characterized by various analysis techniques such as, Fourier transform infrared (FT IR), Ultra Violet-Visible near infrared (UV–vis-NIR) spectral analysis, TG-DSC analyses, nonlinear optical studies and anti-bacterial activities. From the UV–Vis-NIR studies. The cut off wavelength of CYHMH single crystal is 328 nm with excellent translucence in complete visible region. Melting point of CYHMH was 112 °C determined from TG-DSC analysis. Nonlinear refractive index (-8.55 10 -8 cm2/W), nonlinear absorption coefficient (0.03 10-4 cm/W) nonlinear susceptibility (4.07 10-6 esu) were calculated by Z scan technique by diode pumped Continuous Wave Nd:YAG Laser. Gram negative bacteria such as Staphylococcus aureus and Escherichia coli were selected for anti-bacterial tests and it is found that CYHMH is most significant agent for bacterial strains.