D-threo-Ritalinic Acid

Base Information

• Chemical Name: D-threo-Ritalinic Acid
• CAS No.: 129389-67-9
• Deprecated CAS: 56552-74-0
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.28
• UNII: 2MNC5Y0IMU,GT4165RS9H
• Nikkaji Number: J1.615.276E
• Wikidata: Q106634517
• Mol file: 129389-67-9.mol

Synonyms:alpha-phenyl-2-piperidineacetic acid;ritalinic acid;ritalinic acid, (R*,R*)-(+-)-isomer

Chemical Property of D-threo-Ritalinic Acid

Chemical Property:

• Boiling Point: 367.7±17.0 °C(Predicted)
• PKA: 3.50±0.10(Predicted)
• PSA: 49.33000
• Density: 1.138±0.06 g/cm3(Predicted)
• LogP: 2.32570
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

D-THREO-RITALINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
• Isomeric SMILES: C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)O
• Uses: A metabolite

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