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Methylphenidate EP Impurity B

CAT: 1596-AR-M03365-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAS Number
113-45-1
Synonyms
Methylphenidate Hydrochloride
API Name
Methylphenidate

Chemical Information

Methylphenidate

Methyl phenyl(piperidin-2-yl)acetate is a amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group. It is a methyl ester, a member of piperidines and a beta-amino acid ester.

CAS Number113-45-1
PubChem CID4158
IUPAC Namemethyl 2-phenyl-2-piperidin-2-ylacetate
Molecular FormulaC14H19NO2
Molecular Weight233.31
XLogP0.2
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity249
SMILES
COC(=O)C(C1CCCCN1)C2=CC=CC=C2
InChI
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
InChIKey
DUGOZIWVEXMGBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylphenidate
CAS: 113-45-1
CID: 4158
Formula: C14H19NO2
MW: 233.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.31
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass233.141578849
Monoisotopic Mass233.141578849
Topological Polar Surface Area38.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-CR-00003Methylphenidate EP Impurity C
RM-M052316-01Methylphenidate Hydrochloride Impurity 16
RM-M052309-01Methylphenidate Hydrochloride Impurity 9
RM-M052310-01Methylphenidate Hydrochloride Impurity 10
RM-M052301-01Methylphenidate hydrochloride EP Impurity A
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RM-M052308-01Methylphenidate Hydrochloride Impurity 8
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