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4-Me-TMP Pharmaceutical Intermediates 4-Methylmethylphenidate CAS 680996-70-7
|Compound purity:||> 99.7%|
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4-ME-TMP also known as 4-methylmethylphenidate has an IUPAC name of methyl 2-(piperidin-2-yl)-2-(p-tolyl)acetate. The chemical formula for the new research chemical is C15H21NO2. This research chemical is known to be a stimulant that is related to methylphenidate.
Research on 4-ME-TMP was published by ACD/Labs’, Environmental Protection Agency’s EPISuite, and ChemAxon. In the reports by ACD/Labs the chemical has 3 hydrogen acceptors, 1 hydrogen donors, 4 freely rotating bonds, an index of refraction of 1.522, with a surface tension of 38.8±3.0 dyne/cm, a flash point of 163.6±22.3 °C and a boiling point of 346.8±22.0 °C at 760 mmHg.
The research published by US Environmental Protection Agency’s EPISuite showed the boiling point to be 345.59, a melting point of 113.53, and water solubility at 25 deg C (mg/L): 358.5. Removal in wastewater treatment showed total removal at 9.71%, total biodegradation at .16% total sludge adsorption at 9.55%, and total to air at 0.00%.
ChemAxon published a topology analysis, which revealed an atom count of 39, bond count of 40, cyclomatic number of 2, chain atom count of 6, chain bond count of 7, asymmetric atom count of 2, and rotatable bond count of 4. Under geometry, the report revealed a dreiding energy equal to 37.86 kcal/mol with a volume equal to 247.52Å3, a minimal projection area equal to 49.53 Å2 and maximum projection area equal to 74.48 Å2.
Other research showed 4-ME-TMP to have a topological polar surface area of 38.3 A^2, a heavy atom count of 18, Isotope Atom Count of 0, Defined Atom Stereocenter Count of 2, Undefined Atom Stereocenter Count of 0, Defined Bond Stereocenter Count of 0, Undefined Bond Stereocenter Count of 0, and a Covalently-Bonded Unit Count of 1.
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