| CAS Number | 692058-79-0 |
| Catalog Number | AG00IBWW(AGN-PC-0TV30G) |
| Chemical Name | Pyrrolidine, 3,4-dimethoxy-, hydrochloride, (3R,4S)-rel- |
| IUPAC Name | (3R,4S)-3,4-dimethoxypyrrolidine;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-8-5-3-7-4-6(5)9-2;/h5-7H,3-4H2,1-2H3;1H/t5-,6+; |
| InChI Key | XHADJZKQYPPMFA-KNCHESJLSA-N |
| MDL Number | MFCD28063913 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | CO[C@H]1[C@@H](OC)CNC1.[H]Cl |
| Synonyms | cis-3,4-Dimethoxypyrrolidine hydrochloride,
692058-79-0,
cis-3,4-Dimethoxypyrrolidine HCl,
MFCD28063913,
AKOS026741248,
SB15713,
AS-39870,
CS-0047099,
EN300-178921,
(3R,4S)-3,4-Dimethoxypyrrolidine hydrochloride,
|
| Complexity | 77.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.633g/mol |
| Monoisotopic Mass | 167.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number