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Ritalinic acid

CAT: 1596-AR-R01715-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01715-02Size:25 Units
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CAS Number
19395-41-6
Synonyms
2-phenyl-2- (piperidin-2-yl) acetic acid; (2RS) -Phenyl[ (2RS) -piperidin-2-yl]acetic Acid; 2-Phenyl-2-piperidin-2-ylacetic Acid; Phenyl (2-piperidinyl) acetic Acid
Molecular Formula
C13H17NO2
Molecular Weight
219.29
API Name
Ritalinic Acid

Chemical Information

2-Piperidineacetic acid, alpha-phenyl-

Ritalinic acid is a monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate. It has a role as a drug metabolite and a marine xenobiotic metabolite. It is a monocarboxylic acid and a member of piperidines.

CAS Number19395-41-6
PubChem CID86863
IUPAC Name2-phenyl-2-piperidin-2-ylacetic acid
Molecular FormulaC13H17NO2
Molecular Weight219.28
XLogP-2.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity236
SMILES
C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
InChIKey
INGSNVSERUZOAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Piperidineacetic acid, alpha-phenyl-
CAS: 19395-41-6
CID: 86863
Formula: C13H17NO2
MW: 219.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.28
XLogP3-2.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass219.125928785
Monoisotopic Mass219.125928785
Topological Polar Surface Area49.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity236
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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CatalogName
C10846-5mgRitalinic acid
CS-T-61161DL-Erythro Ritalinic Acid
TRC-N597850-50MGN-nitroso-Ritalinic Acid
TRC-R533125-1MGD-threo-Ritalinic Acid
TRC-R533130-2MGL-threo-Ritalinic Acid
TRC-R533995-50MGL-erythro-Ritalinic Acid
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IR180350-01DL-threo-Ritalinic acid
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