The molecular formula for 4-Bromo-N-methylcathinone is C10H12BrNO with an average mass of 242.112396 Da and a monoisotopic mass of 241.010223 Da.

Research on 4-Bromo-N-methylcathinone was conducted by ACD/Labs’, US Environmental Protection Agency’s EPISuite, and ChemAxon. Properties that were predicted by ACD/Labs showed 2 #H bond acceptors, 3 #Freely rotating bonds, index of refraction at 1.546 with a surface tension of 38.8810005187988 dyne/cm, a flash point of 148.474 °C and a boiling point of 321.891 °C at 760 mmHg.

Properties that were predicted by the US Environmental Protection Agency’s EPISuite showed the boiling point at 294.44, melting point at 77.39, and the vapor pressure estimations at 0.000833. The report also showed water solubility at 25 deg C (mg/L): 1223. The removal in wastewater treatment was 4.00 percent for total removal, total biodegradation is 0.11 percent, total sludge adsorption is 3.89 percent, and to air 0.00.

Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 25, bond count of 25, cyclomatic number of 1, chain atom count of 7, chain bond count of 7, asymmetric atom count of 1, and rotatable bond count of 3. Under geometry, the information provided showed deriding energy of 27.66 kcal/mol with a volume of 183.00 Å3, a minimal projection area of 34.18 Å2 and maximum at 57.50 Å2.

Chemical and physical properties of Diphenidine include a heavy atom count of 13, topological polar surface area of 29.1, covalently bonded unit count of 1, feature 3D acceptor count of 1, 3D donor count of 1, feature cation count of 1, feature hydrophobe count of 1, feature 3D ring count of 1, and effective rotor count of 3.

4-Bromo-N-methylcathinone is only intended for research purposes in a controlled laboratory for forensic or scientific study and is NOT intended for human consumption.

4-BMC

4-BMC