≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C |
|---|---|
| IUPAC Name | 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one |
| InChIKey | GILNENKPNRBYRD-UHFFFAOYSA-N |
| INCHI | 1S/C24H26N2O4/c1-16-3-5-20-19(12-23(27)30-24(20)17(16)2)14-26-9-7-25(8-10-26)13-18-4-6-21-22(11-18)29-15-28-21/h3-6,11-12H,7-10,13-15H2,1-2H3 |
| Peso molecular | 406.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Benzodioxoles Pyranones and derivatives N-alkylpiperazines Aralkylamines Benzenoids Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Pyranone - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
| Peso molecular | 406.500 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 406.189 Da |
| Monoisotopic Mass | 406.189 Da |
| Topological Polar Surface Area | 51.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 660.000 |
| 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 |
![4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-7,8-dimethyl-2H-chromen-2-one - ≥98% , CAS No.850900-73-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)