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Dimethylphenidate Pharmaceutical Intermediates Research Chemical Stimulants CAS 479820-21-1
|Compound purity:||> 99.7%|
|IUPAC:||Phenyl-piperidin-2-yl-acetic acid isopropyl ester|
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Dimethylphenidate is a new research chemical. The research chemical has a chemical formula of C16H23NO2, a formal name of Phenyl-piperidin-2-yl-acetic acid isopropyl ester and a molecular mass of 261.17
Since Dimethylphenidate is so new on the market, research data is not available; however, it is closely related to similar chemical. Due to this, we can look at research published pertaining to compound to learn more.
Research on compound was published by ACD/Labs’, US Environmental Protection Agency’s EPISuite, and ChemAxon. In the reports by ACD/Labs the chemical has 3 hydrogen acceptors, 1 hydrogen donor, 5 freely rotating bonds, an index of refraction of 1.520, with a surface tension of 39.2±3.0 dyne/cm, a flash point of 161.3±20.9 °C and a boiling point of 343.1±17.0 °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 109.36, and water solubility at 25 deg C (mg/L): 400.4. Removal in wastewater treatment showed total removal at 8.76%, total biodegradation at .15% total sludge adsorption at 8.62%, 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 5. Under geometry, the report revealed a dreiding energy equal to 36.55 kcal/mol with a volume equal to 247.59 Å3, a minimal projection area equal to 51.88 Å2 and maximum projection area equal to 70.74 Å2.
Other research showed compound 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 0, Undefined Atom Stereocenter Count of 2, Defined Bond Stereocenter Count of 0, Undefined Bond Stereocenter Count of 0, and a Covalently-Bonded Unit Count of 1.
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