Cas no 113-45-1 (methylphenidate)

methylphenidate structure
methylphenidate structure
Product Name:methylphenidate
CAS No:113-45-1
MF:C14H19NO2
MW:233.30616402626
CID:81932
PubChem ID:4158
Update Time:2025-04-18

methylphenidate Chemical and Physical Properties

Names and Identifiers

    • methylphenidate
    • methyl alpha-phenyl-2-piperidylacetate
    • alpha-Phenyl-2-piperidineacetic acid methyl ester
    • meridil
    • Methyl alpha-phenyl-2-piperdine acetate
    • Methyl phenidyl acetate
    • Phenidylate
    • Ritalin
    • methyl 2-phenyl-2-piperidin-2-ylacetate
    • METHYLPHENIDATE, USP
    • [3H]-Methylphenidate
    • Calocain
    • Concerta
    • Concerta(R)
    • Daytrana
    • Metadata ER
    • Metadate(R)
    • Methylin
    • Methylphenidan
    • Metilfenidato
    • Plimasine
    • OROS methylphenidate
    • Rubifen
    • C07196
    • DEXMETHYLPHENIDATE
    • 4311
    • b Ciba
    • 4311/b Ciba
    • Methylin (Salt/Mix)
    • DB00422
    • NCGC00248587-01
    • DTXSID5023299
    • Methylphenidatum
    • CHEBI:6887
    • Methyl alpha-phenyl-alpha-2-piperidinylacetate
    • BCP18286
    • CHEMBL796
    • HSDB 3126
    • Methyl (2-phenyl-2-(2-piperidyl)acetate)
    • Methyl .alpha.-phenyl-2-piperidine-acetate
    • EINECS 204-028-6
    • Ritaline (Salt/Mix)
    • d-methylphenidate HCl
    • Metilfenidato [INN-Spanish]
    • SBI-0206868.P001
    • Methyl .alpha.-phenyl-.alpha.-2-piperidinylacetate
    • Prc-063
    • N06BA04
    • Centedein
    • Q422112
    • Methyl phenidylacetate
    • .alpha.-Phenyl-2-piperidineacetic acid methyl ester
    • Metilfenidato [Italian]
    • alpha-Phenyl-alpha-(2-piperidyl)acetic acid methyl ester
    • Methylfenidan
    • BDBM50062912
    • DTXCID003299
    • C 4311
    • rac-methyl (2R)-phenyl((2R)-piperidin-2-yl)acetate
    • Metilfenidato (INN-Spanish)
    • Methyl 2-phenyl-2-(piperidin-2-yl)acetate
    • HY-B1091
    • Methyl .alpha.-phenyl-2-piperidineacetate
    • Methylphenidate Transdermal System
    • Methyl alpha-phenyl-alpha-(2-piperidyl)acetate
    • Ritalin (Salt/Mix)
    • NCI-C56280
    • CS-4657
    • NS00010412
    • Methyl .alpha.-phenyl-.alpha.-(2-piperidyl)acetate
    • Threo-dl-methylphenidate
    • Centedein (Salt/Mix)
    • 2-Piperidineacetic acid, alpha-phenyl-, methyl ester
    • methyl alpha-piperid-2-ylphenylacetate
    • Methylphenidate [USAN:INN:BAN]
    • GTPL7236
    • Daytrana (TN)
    • Centedrin (Salt/Mix)
    • 113-45-1
    • D04999
    • Methylphenidate HCl
    • Methyl phenyl(2-piperidinyl)acetate #
    • Centedrine (Salt/Mix)
    • Methylphenidate extended release
    • Methylphenidatum [INN-Latin]
    • NCGC00248587-03
    • 2-Piperidineacetic acid, ?-phenyl-, methyl ester
    • Methylphenidatum (INN-Latin)
    • DEA No. 1724
    • L001307
    • AB01563134_01
    • methyl phenyl(piperidin-2-yl)acetate
    • BRD-A19585813-003-01-7
    • Methylphenidylacetate hydrochloride
    • Methyl phenidate
    • Cotempla XR-ODT
    • SCHEMBL37178
    • METHYLPHENIDATE (MART.)
    • Methylphenidate (USAN/INN)
    • phenyl-piperidin-2-yl-acetic acid methyl ester
    • Jornay PM (a.k.a. HLD200)
    • CHEBI:84276
    • 2-Piperidineacetic acid, .alpha.-phenyl-, methyl ester
    • METHYLPHENIDATE (II)
    • Inchi: 1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
    • InChI Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C1C=CC=CC=1)C1CCCCN1)=O

Computed Properties

  • Exact Mass: 233.14200
  • Monoisotopic Mass: 233.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 249
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • Density: 1.070
  • Melting Point: 74.5°C
  • Boiling Point: 327 oC
  • Flash Point: 152 oC
  • Refractive Index: 1.5110 (estimate)
  • PSA: 38.33000
  • LogP: 2.41410

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