| CAS Number | 1217830-70-0 |
| Catalog Number | AG00HGF0(AGN-PC-0WBO7W) |
| Chemical Name | (S)-alpha-(3-Pyridinylmethyl)-proline-2HCl |
| IUPAC Name | (2S)-2-(pyridin-3-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C11H14N2O2.2ClH/c14-10(15)11(4-2-6-13-11)7-9-3-1-5-12-8-9;;/h1,3,5,8,13H,2,4,6-7H2,(H,14,15);2*1H/t11-;;/m0../s1 |
| InChI Key | QDRDSHUHXUYTRA-IDMXKUIJSA-N |
| MDL Number | MFCD06659377 |
| Molecular Formula | C11H16Cl2N2O2 |
| Molecular Weight | 279.1629 |
| SMILES | C1C[C@](NC1)(CC2=CN=CC=C2)C(=O)O.Cl.Cl |
| Synonyms | (S)-alpha-(3-pyridinylmethyl)-proline-2HCl,
1217830-70-0,
4430AH,
MFCD06659377,
K-1640,
C11H14N2O2.2HCl,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.161g/mol |
| Monoisotopic Mass | 278.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number