| CAS Number | 1217684-31-5 |
| Catalog Number | AG00HGE0(AGN-PC-0WAGE4) |
| Chemical Name | (R)-Alpha-phenethyl-l-proline-hcl |
| IUPAC Name | (2R)-2-(2-phenylethyl)pyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c15-12(16)13(8-4-10-14-13)9-7-11-5-2-1-3-6-11;/h1-3,5-6,14H,4,7-10H2,(H,15,16);1H/t13-;/m0./s1 |
| InChI Key | NZORNSLALKFTJI-ZOWNYOTGSA-N |
| MDL Number | MFCD06659172 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.OC(=O)[C@@]1(CCC2=CC=CC=C2)CCCN1 |
| Synonyms | 1217684-31-5,
(R)-2-Phenethylpyrrolidine-2-carboxylic acid hydrochloride,
(R)-alpha-phenethyl-L-proline-HCl,
(R)-alpha-phenethyl-proline-HCl,
DTXSID80661592,
4034AA,
MFCD06659172,
(2R)-2-phenethylproline;hydrochloride,
PS-12555,
AX8245680,
K-1636,
2-(2-Phenylethyl)-D-proline--hydrogen chloride (1/1),
(2R)-2-(2-phenylethyl)-2-pyrrolidinecarboxylic acid;hydrochloride,
(2R)-2-(2-phenylethyl)pyrrolidine-2-carboxylic acid;hydrochloride,
C13H18ClNO2,
(R)-2-Phenethylpyrrolidine-2-carboxylicacidhydrochloride,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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