≥97% 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(OC(=O)C(=CNC2=CC=NN2CC3=CC=C(C=C3)OC)C(=O)O1)C |
|---|---|
| IUPAC Name | 5-[[[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChIKey | LBTSTNKBKYTZFF-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N3O5/c1-18(2)25-16(22)14(17(23)26-18)10-19-15-8-9-20-21(15)11-12-4-6-13(24-3)7-5-12/h4-10,19H,11H2,1-3H3 |
| Peso molecular | 357.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Ketals 1,3-dioxanes Dicarboxylic acids and derivatives Pyrazoles Heteroaromatic compounds Enoate esters Vinylogous amides Lactones Oxacyclic compounds Enamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Ketal - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Azole - Pyrazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Lactone - Azacycle - Ether - Enamine - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Peso molecular | 357.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 357.132 Da |
| Monoisotopic Mass | 357.132 Da |
| Topological Polar Surface Area | 91.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| 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 |
![1,3-Dioxane-4,6-dione, 5-[[[1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl]amino]methylene]-2,2-dimethyl- - ≥97% CAS No(949556-46-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D987375.jpg)