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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)N1CCC2(CC1)CN(C(=O)CO2)CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | tert-butyl 4-benzyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
| InChIKey | RLHOTFVDXKZZKW-UHFFFAOYSA-N |
| INCHI | 1S/C20H28N2O4/c1-19(2,3)26-18(24)21-11-9-20(10-12-21)15-22(17(23)14-25-20)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CO2)CC3=CC=CC=C3 |
| PubChem CID | 71742965 |
| Molecular Weight | 360.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | Piperidinecarboxylic acids Morpholines Benzene and substituted derivatives Tertiary carboxylic acid amides Carbamate esters Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Azaspirodecane - Piperidinecarboxylic acid - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Piperidine - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 360.400 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 360.205 Da |
| Monoisotopic Mass | 360.205 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 514.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |