≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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(C1)C(CNC2=O)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | tert-butyl 1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate |
| InChIKey | GNEASONALBKLGH-UHFFFAOYSA-N |
| INCHI | 1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-9-18(12-20)14(11-19-15(18)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,21) |
| Molecular Weight | 316.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Diazaspirononane derivatives Pyrrolidine carboxylic acids Pyrrolidine-2-ones Benzene and substituted derivatives Pyrroles Carbamate esters Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-phenylpyrrolidine - Diazaspirononane - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Carbamic acid ester - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 316.400 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 316.179 Da |
| Monoisotopic Mass | 316.179 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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 | 1 |
![6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester - ≥95% , CAS No.1290627-02-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)