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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1C2CCC(C1CC2)N |
|---|---|
| IUPAC Name | tert-butyl (1R,2R,5R)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate |
| InChIKey | LJSMXQVRQBFKNF-OPRDCNLKSA-N |
| INCHI | 1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-4-6-9(13)10(14)7-5-8/h8-10H,4-7,13H2,1-3H3/t8-,9-,10-/m1/s1 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]([C@H]1CC2)N |
| Peso molecular | 226.31 |
| Reaxy-Rn | 30606325 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30606325&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Clase | Tropane alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropane alkaloids |
| Alternative Parents | Piperidinecarboxylic acids Pyrrolidine carboxylic acids Aminopiperidines Carbamate esters Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Piperidinecarboxylic acid - Tropane alkaloid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 3-aminopiperidine - Piperidine - Pyrrolidine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. |
| External Descriptors | Not available |
| Peso molecular | 226.320 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.168 Da |
| Monoisotopic Mass | 226.168 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |