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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)N1CCCC2(C1)CCO2 |
|---|---|
| IUPAC Name | tert-butyl 1-oxa-8-azaspiro[3.5]nonane-8-carboxylate |
| InChIKey | LCPKAAHDEZYAQL-UHFFFAOYSA-N |
| INCHI | 1S/C12H21NO3/c1-11(2,3)16-10(14)13-7-4-5-12(9-13)6-8-15-12/h4-9H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCCC2(C1)CCO2 |
| Peso molecular | 227.3 |
| Reaxy-Rn | 41534343 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41534343&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Carbamate esters Oxetanes Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Piperidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Oxetane - Oxacycle - Azacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aliphatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 227.300 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 227.152 Da |
| Monoisotopic Mass | 227.152 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-Oxa-8-azaspiro[3.5]nonane-8-carboxylic acid tert-butyl ester - CAS No(1272412-68-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/O/1/O166825.png)