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Name: Ethylphenidate Crystals Research Chemical
Molecular weight: 247.330
Compound purity: > 99.87%
Related substance: Total Impurities(%) ≤ 0.3%
Appearance: White powder
IUPAC: (RS)-ethyl 2-phenyl-2-piperidin-2-ylacetate
Ethylphenidate is in the classification of research chemicals as well as being an analogue of methylphenidate. The systematic or IUPAC name for Ethylphenidate is Ethyl phenyl(2-piperidinyl)acetate. The molecular formula is C15H21NO2 with an average mass of 247.332703 Da and a Monoisotopic mass of 247.157227 Da. Ethylphenidate when kept in its ≥98% purity form as a crystalline solid at -20°C will remain stable for two years.
Research on Ethylphenidate was conducted by ACD/Labs’, US Environmental Protection Agency’s EPISuite, and ChemAxon. Properties that were predicted by ACD/Labs showed 3 #H bond acceptors, 5 #Freely rotating bonds, index of refraction at 1.52 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.
Properties that were predicted by the US Environmental Protection Agency’s EPISuite showed the boiling point at 345.59, melting point at 109.36, and the vapor pressure estimations at 2.49E-005. The report also showed water solubility at 25 deg C (mg/L): 400.4. The removal in wastewater treatment was 8.76 percent for total removal, total biodegradation is 0.15 percent, total sludge adsorption is 8.62 percent, and to air 0.00.
Properties that were predicted by ChemAxon included a topology analysis, which showed 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 information provided showed deriding energy of 36.89 kcal/mol with a volume of 247.47 Å3, a minimal projection area of 52.14 Å2 and maximum at 71.30 Å2.
Chemical and physical properties of Ethylphenidate include a heavy atom count of 16, topological polar surface area of 47.6, covalently bonded unit count of 1, feature 3D acceptor count of 3, 3D donor count of 1, feature 3D cation count of 1, feature 3D ring count of 2, and effective rotor count of 4.6.
Ethylphenidate is only intended for research purposes in a controlled laboratory for forensic or scientific study and is NOT intended for human consumption..
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