| CAS Number | 1001354-15-9 |
| Catalog Number | AG00J290(AGN-PC-0WB5WD) |
| Chemical Name | (4S)-4-(dimethylamino)-L-proline dihydrochloride |
| IUPAC Name | (2S,4S)-4-(dimethylamino)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C7H14N2O2/c1-9(2)5-3-6(7(10)11)8-4-5/h5-6,8H,3-4H2,1-2H3,(H,10,11)/t5-,6-/m0/s1 |
| InChI Key | TYSMGLNAVKBLPB-WDSKDSINSA-N |
| MDL Number | MFCD28134216 |
| Molecular Formula | C7H16Cl2N2O2 |
| Molecular Weight | 231.1201 |
| SMILES | N1C[C@H](C[C@H]1C(O)=O)N(C)C.Cl.Cl |
| Synonyms | 1001354-15-9,
SCHEMBL1270106,
ZINC96904838,
(4S)-4-(Dimethylamino)-L-proline dihydrochloride,
(2s,4s)-4-(dimethylamino)pyrrolidine-2-carboxylic acid,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.201g/mol |
| Monoisotopic Mass | 158.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number