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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.
| Canonical Smiles | CC(C)(C)OC(=O)N1CC2CCC(C1)C2N.Cl |
|---|---|
| IUPAC Name | tert-butyl 8-amino-3-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride |
| InChIKey | RFBKNDDSLDVXMR-UHFFFAOYSA-N |
| INCHI | 1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-6-8-4-5-9(7-14)10(8)13;/h8-10H,4-7,13H2,1-3H3;1H |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC2CCC(C1)C2N.Cl |
| PubChem CID | 74889704 |
| Molecular Weight | 262.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Azepanes Aminopiperidines Carbamate esters Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Piperidinecarboxylic acid - 4-aminopiperidine - Azepane - Carbamic acid ester - Azacycle - Hydrochloride - Hydrocarbon derivative - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 262.770 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 262.145 Da |
| Monoisotopic Mass | 262.145 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |