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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 | CC1CN(C2(O1)CCCCCC2)C(=O)NC3=CC(=CC=C3)Cl |
|---|---|
| IUPAC Name | N-(3-chlorophenyl)-2-methyl-1-oxa-4-azaspiro[4.6]undecane-4-carboxamide |
| InChIKey | PSEHVYJCDAXIOK-UHFFFAOYSA-N |
| INCHI | 1S/C17H23ClN2O2/c1-13-12-20(17(22-13)9-4-2-3-5-10-17)16(21)19-15-8-6-7-14(18)11-15/h6-8,11,13H,2-5,9-10,12H2,1H3,(H,19,21) |
| Isómeros SMILES | CC1CN(C2(O1)CCCCCC2)C(=O)NC3=CC(=CC=C3)Cl |
| PubChem CID | 5160591 |
| Peso molecular | 322.84 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | N-phenylureas Chlorobenzenes Aryl chlorides Oxazolidines Ureas Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Azaspirodecane - N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazolidine - Urea - Carbonic acid derivative - Oxacycle - Azacycle - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 322.800 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 322.145 Da |
| Monoisotopic Mass | 322.145 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 396.000 |
| 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 |