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4-CMC also known as 4-Chloro-m-cresol is used activator of ryanodine receptors while being an inhibitor of SERCA CA2+ pumps which increases the cytosolic free calcium concentration in the skeletal muscles. The IUPAC name for 4-CMC is 1-(4-chlorophenyl)-2-(methylamino)propan-1-one and the molecular formula is C10H12ClNO. It has an average mass of 197.660995 Da and a monoisotopic mass of 197.061 Da.
Research on 4-CMC was conducted by ACD/Labs’ and ChemAxon. Properties that were predicted by ACD/Labs showed 2 #H bond acceptors, 1 #H bond donor, 3 #Freely rotating bonds, index of refraction at 1.529 with a surface tension of 37.459 dyne/cm, a flash point of 136.924 °C and a boiling point of 302.791 °C at 760 mmHg.
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 28.22 kcal/mol with a volume of 178.72 Å3, a minimal projection area of 35.55 Å2 and maximum at 56.60 Å2.