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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 | C1CC2=C(C=CC(=C2)N3CCOCC3)C(=O)C1 |
|---|---|
| IUPAC Name | 6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one |
| InChIKey | SIEWSRSYXYODNE-UHFFFAOYSA-N |
| INCHI | 1S/C14H17NO2/c16-14-3-1-2-11-10-12(4-5-13(11)14)15-6-8-17-9-7-15/h4-5,10H,1-3,6-9H2 |
| Molecular Weight | 231.29 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Dialkylarylamines Aryl alkyl ketones Morpholines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetralin - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Morpholine - Oxazinane - Tertiary amine - Ketone - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
| External Descriptors | Not available |
| Molecular Weight | 231.290 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.126 Da |
| Monoisotopic Mass | 231.126 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| 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 |