| CAS Number | 1217722-65-0 |
| Catalog Number | AG00JKJC(AGN-PC-0WBO7N) |
| Chemical Name | (S)-alpha-(4-Biphenylmethyl)-proline-HCl |
| IUPAC Name | (2S)-2-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C18H19NO2.ClH/c20-17(21)18(11-4-12-19-18)13-14-7-9-16(10-8-14)15-5-2-1-3-6-15;/h1-3,5-10,19H,4,11-13H2,(H,20,21);1H/t18-;/m0./s1 |
| InChI Key | OODCDGGNLJQZLT-FERBBOLQSA-N |
| MDL Number | MFCD06659218 |
| Molecular Formula | C18H20ClNO2 |
| Molecular Weight | 317.8099 |
| SMILES | OC(=O)[C@]1(CCCN1)Cc1ccc(cc1)c1ccccc1.Cl |
| Synonyms | 1217722-65-0,
(S)-alpha-(4-biphenylmethyl)-proline-HCl,
(S)-2-([1,1'-Biphenyl]-4-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride,
C18H19NO2.HCl,
4431AH,
MFCD06659218,
(S)-alpha-(4-Biphenylmethyl)proline HCl,
(S)-ALPHA-(4-BIPHENYLMETHYL)-PROLINE HYDROCHLORIDE,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.813g/mol |
| Monoisotopic Mass | 317.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number