≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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=C(C=C2)CC3C(=O)N(C(=O)N(C3=O)C)C |
|---|---|
| IUPAC Name | 1,3-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3-diazinane-2,4,6-trione |
| InChIKey | BNRMMTHQRMYNPW-UHFFFAOYSA-N |
| INCHI | 1S/C19H25BN2O5/c1-18(2)19(3,4)27-20(26-18)13-9-7-12(8-10-13)11-14-15(23)21(5)17(25)22(6)16(14)24/h7-10,14H,11H2,1-6H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC3C(=O)N(C(=O)N(C3=O)C)C |
| Molecular Weight | 372.2 |
| Reaxy-Rn | 30287594 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30287594&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 1,3-dicarbonyl compounds Dioxaborolanes Dicarboximides Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Barbiturate - Ureide - N-acyl urea - Benzenoid - 1,3-dicarbonyl compound - 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 | 372.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 372.186 Da |
| Monoisotopic Mass | 372.186 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 602.000 |
| 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-Dimethyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]barbituric acid - ≥95% CAS No(2027543-00-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D182586.png)