| CAS Number | 82087-67-0 |
| Catalog Number | AG019EOT(AGN-PC-0OIN8Z) |
| Chemical Name | (2S,4R)-4-Phenylpyrrolidine-2-Carboxylic Acid Hydrochloride |
| IUPAC Name | (2S,4R)-4-phenylpyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1 |
| InChI Key | LWFBRHSTNWMMGN-IYPAPVHQSA-N |
| MDL Number | MFCD17976749 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | OC(=O)[C@H]1NC[C@H](C1)c1ccccc1.Cl |
| Synonyms | (2S,4R)-4-Phenylpyrrolidine-2-carboxylic acid hydrochloride,
82087-67-0,
SCHEMBL10461198,
LWFBRHSTNWMMGN-IYPAPVHQSA-N,
MFCD17976749,
AKOS015907355,
cis-4-phenyl-L-proline, hydrochloride,
CS-0062245,
l-proline, 4-phenyl-, hydrochloride (1:1), (4r)-,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number