Catalog Number
ACM19395416
Product Name
Ritalinic acid
Category
Heterocyclic Organic Compound
Synonyms
α-Phenyl-2-piperidineacetic acid
IUPAC Name
2-Phenyl-2-piperidin-2-ylacetic acid
Molecular Formula
C13H17NO2
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)
InChI Key
INGSNVSERUZOAK-UHFFFAOYSA-N
Boiling Point
367.7±17.0 °C
Appearance
Off-white solid
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
2
Monoisotopic Mass
219.125928785
Supplemental Hazard Statements
H319
Topological Polar Surface Area
49.3 Ų
Vapor Pressure
0.000204mmHg at 25°C