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.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-5-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione |
| InChIKey | VRODNKHKVOXUAU-UHFFFAOYSA-N |
| INCHI | 1S/C19H23BN2O5/c1-18(2)19(3,4)27-20(26-18)13-9-7-8-12(10-13)11-14-15(23)21(5)17(25)22(6)16(14)24/h7-11H,1-6H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C |
| PubChem CID | 71306510 |
| Molecular Weight | 370.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidones |
| Direct Parent | Barbituric acid derivatives |
| Alternative Parents | N-acyl ureas Diazinanes Benzene and substituted derivatives Dioxaborolanes Dicarboximides Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Barbiturate - Ureide - N-acyl urea - Benzenoid - 1,3-diazinane - Monocyclic benzene moiety - 1,3,2-dioxaborolane - Dicarboximide - Boronic acid ester - Urea - Carbonic acid derivative - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organoboron compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups. |
| External Descriptors | Not available |
| Molecular Weight | 370.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 370.17 Da |
| Monoisotopic Mass | 370.17 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 27 |
| 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 |
