methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate

Base Information

• Chemical Name: methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
• CAS No.: 54593-35-0
• Molecular Formula: C14H19 N O3
• Molecular Weight: 249.31
• DSSTox Substance ID: DTXSID40969849
• Nikkaji Number: J723.306J
• Wikidata: Q82952910
• ChEMBL ID: CHEMBL1253698
• Mol file: 54593-35-0.mol

Synonyms:4-hydroxymethylphenidate;4-hydroxymethylphenidate hydrochloride, (R*,R*)-(+-)-isomer;4-hydroxymethylphenidate hydrochloride, (R*,S*)-(+-)-isomer;p-hydroxymethylphenidate;para-hydroxymethylphenidate;threo-DL-p-hydroxymethylphenidate

Chemical Property of methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate

Chemical Property:

• Vapor Pressure: 2.73E-06mmHg at 25°C
• Boiling Point: 379.2°C at 760 mmHg
• Flash Point: 183.1°C
• Density: 1.151g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(C1CCCCN1)C2=CC=C(C=C2)O
• Isomeric SMILES: COC(=O)[C@@H]([C@H]1CCCCN1)C2=CC=C(C=C2)O

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