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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1(OC(=O)C(=CNCCC2=CC(=C(C=C2)OC)OC)C(=O)O1)C |
|---|---|
| IUPAC Name | 5-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChIKey | GTLWGXHYGYVFIV-UHFFFAOYSA-N |
| INCHI | 1S/C17H21NO6/c1-17(2)23-15(19)12(16(20)24-17)10-18-8-7-11-5-6-13(21-3)14(9-11)22-4/h5-6,9-10,18H,7-8H2,1-4H3 |
| Isómeros SMILES | CC1(OC(=O)C(=CNCCC2=CC(=C(C=C2)OC)OC)C(=O)O1)C |
| PubChem CID | 4190974 |
| Peso molecular | 335.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Methoxybenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dimethoxybenzenes |
| Alternative Parents | Phenethylamines Phenoxy compounds Anisoles Alkyl aryl ethers Aralkylamines Ketals 1,3-dioxanes Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Lactones Amino acids and derivatives Enamines Dialkylamines Allylamines Oxacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Ketal - Aralkylamine - Meta-dioxane - Dicarboxylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Secondary amine - Carboxylic acid derivative - Acetal - Secondary aliphatic amine - Enamine - Ether - Allylamine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
| External Descriptors | Not available |
| Peso molecular | 335.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 335.137 Da |
| Monoisotopic Mass | 335.137 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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 |
![5-{[(3,4-Dimethoxyphenethyl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione , CAS No.1020252-23-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)