| CAS Number | 1609388-38-6 |
| Catalog Number | AG00J2C9 |
| Chemical Name | (2S,4R)-Methyl 4-(dimethylamino)pyrrolidine-2-carboxylate dihydrochloride |
| IUPAC Name | methyl (2S,4R)-4-(dimethylamino)pyrrolidine-2-carboxylate;dihydrochloride |
| InChI | InChI=1S/C8H16N2O2.2ClH/c1-10(2)6-4-7(9-5-6)8(11)12-3;;/h6-7,9H,4-5H2,1-3H3;2*1H/t6-,7+;;/m1../s1 |
| InChI Key | GIKDKOQAUASSGJ-VJBFUYBPSA-N |
| MDL Number | MFCD26959731 |
| Molecular Formula | C8H18Cl2N2O2 |
| Molecular Weight | 245.1467 |
| SMILES | N1C[C@@H](C[C@H]1C(OC)=O)N(C)C.Cl.Cl |
| Synonyms | Methyl (4R)-4-(dimethylamino)-L-prolinate dihydrochloride,
1609388-38-6,
ZX-CM009000,
MFCD26959731,
AS-37559,
(2s,4r)-methyl 4-(dimethylamino)pyrrolidine-2-carboxylate 2hcl,
1163706-98-6,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.144g/mol |
| Monoisotopic Mass | 244.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number