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Methylphenidate EP Impurity B

CAT: 1596-AR-M03365-03Size: 50 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
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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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