| CAS Number | 959395-07-4 |
| Catalog Number | AG01FR03(AGN-PC-3H5PBO) |
| Chemical Name | (2S,2'S)-(-)-[N,N'-Bis(2-pyridylmethyl]-2,2'-bipyrrolidine |
| IUPAC Name | 2-[[(2S)-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine |
| InChI | InChI=1S/C20H26N4/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2/t19-,20-/m0/s1 |
| InChI Key | XMBZMHWNENRJHR-PMACEKPBSA-N |
| MDL Number | MFCD16621417 |
| Molecular Formula | C20H30Cl4N4 |
| Molecular Weight | 468.291 |
| SMILES | |
| Synonyms | SCHEMBL995147,
(2S,2'S)-(-)-[N,N'-Bis(2-pyridylmethyl]-2,2'-bipyrrolidine,
959395-07-4,
ZINC42784424,
2alpha,2'alpha-Bi[(2S)-1-(2-pyridylmethyl)pyrrolidine],
(2S,2'S)-1,1'-Bis(pyridin-2-ylmethyl)-2,2'-bipyrrolidine,
2-({(s)-2-[(s)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl}methyl)pyridine,
N/A,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.215747g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.4g/mol |
| Monoisotopic Mass | 322.215747g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number