| CAS Number | 1382859-13-3 |
| Catalog Number | AG0018G2(AGN-PC-0WGCNI) |
| Chemical Name | 2-Piperidineacetic acid, a-phenyl-, hydrochloride (1:1), (aR,2R)-rel- |
| IUPAC Name | (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/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);1H/t11-,12-;/m1./s1 |
| InChI Key | SCUMDQFFZZGUQY-MNMPKAIFSA-N |
| MDL Number | MFCD16294270 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.C1(=CC=CC=C1)[C@@H](C(=O)O)[C@@H]1NCCCC1 |
| Synonyms | Ritalinic acid hydrochloride,
Methylphenidate acid hydrochloride,
Methylphenidate related compound A,
Methylphenidate related compound A [USP-RS],
alpha-Phenyl-2-piperidineacetic acid hydrochloride,
UNII-2IEY1KK135 component SCUMDQFFZZGUQY-MNMPKAIFSA-N,
2-Piperidineacetic acid, alpha-phenyl-, hydrochloride (1:1), (alphaR,2R)-rel-,
1382859-13-3,
UNII-2IEY1KK135,
2IEY1KK135,
DL-threo-Ritalinic Acid Hydrochloride,
(alphaR,2R)-alpha-Phenyl-2-piperidineacetic acid hydrochloride,
741705-70-4,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number