for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCC(C)C1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N |
|---|---|
| IUPAC Name | 2-amino-4-butan-2-yl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile |
| InChIKey | KCBXGLSZWOIDMH-UHFFFAOYSA-N |
| INCHI | 1S/C16H22N2O2/c1-5-9(2)13-10(8-17)15(18)20-12-7-16(3,4)6-11(19)14(12)13/h9,13H,5-7,18H2,1-4H3 |
| Peso molecular | 274.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Cyclic ketones |
| Direct Parent | Cyclohexenones |
| Alternative Parents | Pyrans Vinylogous esters Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Cyclohexenone - Pyran - Vinylogous ester - Ketene acetal or derivatives - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. |
| External Descriptors | Not available |
| Peso molecular | 274.360 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 274.168 Da |
| Monoisotopic Mass | 274.168 Da |
| Topological Polar Surface Area | 76.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 560.000 |
| 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 |
