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19395-41-6

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Basic Information
CAS No.: 19395-41-6
Name: Ritalinic acid
Article Data: 6
Molecular Structure:
Molecular Structure of 19395-41-6 (Ritalinic acid)
Formula: C13H17NO2
Molecular Weight: 219.283
Synonyms: a-Phenyl-2-piperidineacetic acid;2-Piperidineaceticacid, a-phenyl-;
EINECS: 243-020-7
Density: 1.138 g/cm48
Melting Point: 236-238 °C
Boiling Point: 367.7 °C at 760 mmHg
Flash Point: 176.2 °C
Appearance: Off-white solid
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
PSA: 49.33000
LogP: 2.32570
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Chemistry

Molecular Structure of Ritalinic acid (CAS NO.19395-41-6):

IUPAC Name: 2-Phenyl-2-piperidin-2-ylacetic acid
Molecular Weight: 219.27958 [g/mol]
Molecular Formula: C13H17NO2
XLogP3: -2.4
H-Bond Donor: 2
H-Bond Acceptor: 3 
EINECS: 243-020-7 
Index of Refraction: 1.554
Molar Refractivity: 61.77 cm3
Molar Volume: 192.6 cm3
Surface Tension: 46.9 dyne/cm
Density: 1.138 g/cm3
Flash Point: 176.2 °C
Enthalpy of Vaporization: 64.8 kJ/mol
Boiling Point: 367.7 °C at 760 mmHg
Vapour Pressure: 4.71E-06 mmHg at 25 °C
Appearance: Off-White Solid
Melting Point: 236-238 °C
Product Categories: Organic acids; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Alphabetical Listings; Q-S; Stable Isotopes 
Canonical 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

Uses

 Ritalinic acid (CAS NO.19395-41-6) is used as a major metabolite of Methylphenidate.

Safety Profile

Safety Information of Ritalinic acid (CAS NO.19395-41-6):
Hazard Codes: IrritantXi
Risk Statements: 36 
R36:Irritating to eyes.
Safety Statements: 26 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

Specification

  Ritalinic acid (CAS NO.19395-41-6), its Synonyms are 2-Piperidineacetic acid, alpha-phenyl- ; alpha-Phenylpiperidine-2-acetic acid ; alpha-Phenyl-2-piperidineacetic acid ; Phenyl(2-piperidinyl)acetic acid ; 2-Phenyl-2-(2-piperidyl)acetic acid .