| CAS Number | 596793-29-2 |
| Catalog Number | AG00IAL1(AGN-PC-0OCYGO) |
| Chemical Name | Trans-3,4-dimethoxypyrrolidine |
| IUPAC Name | (3S,4S)-3,4-dimethoxypyrrolidine |
| InChI | InChI=1S/C6H13NO2/c1-8-5-3-7-4-6(5)9-2/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChI Key | CROOPTGQTSCWCM-WDSKDSINSA-N |
| MDL Number | MFCD19218741 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| SMILES | CO[C@H]1CNC[C@@H]1OC |
| Synonyms | (3S,4S)-3,4-Dimethoxypyrrolidine,
596793-29-2,
trans-3,4-Dimethoxypyrrolidine,
SCHEMBL92347,
CTK1E6812,
DTXSID60563984,
CROOPTGQTSCWCM-WDSKDSINSA-N,
ZINC34364341,
AKOS006355118,
Pyrrolidine, 3,4-dimethoxy-, (3S,4S)-,
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| Complexity | 77.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.175g/mol |
| Monoisotopic Mass | 131.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number