≥98% 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.
Application
1-Benzyl-5-phenylbarbituric acid is useful as a pharmaceutical intermediate in organic synthesis
| Pubchem Sid | 504757591 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757591 |
| Canonical Smiles | C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3 |
| IUPAC Name | 1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione |
| InChIKey | KCWWCWMGJOWTMY-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22) |
| Isomeric SMILES | C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3 |
| Molecular Weight | 294.31 |
| Reaxy-Rn | 13429184 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13429184&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 Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Barbiturate - N-acyl urea - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - 1,3-dicarbonyl compound - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2602224 | Certificate of Analysis | May 14, 2026 | B135892 |
| F2602225 | Certificate of Analysis | May 14, 2026 | B135892 |
| F2602226 | Certificate of Analysis | May 14, 2026 | B135892 |
| F2602250 | Certificate of Analysis | May 14, 2026 | B135892 |
| E2414207 | Certificate of Analysis | Feb 05, 2026 | B135892 |
| E2414205 | Certificate of Analysis | Feb 05, 2026 | B135892 |
| E2414102 | Certificate of Analysis | Feb 05, 2026 | B135892 |
| E2414206 | Certificate of Analysis | Feb 05, 2026 | B135892 |
| E2414210 | Certificate of Analysis | Feb 05, 2026 | B135892 |
| I2517154 | Certificate of Analysis | Sep 05, 2025 | B135892 |
| I2517155 | Certificate of Analysis | Sep 05, 2025 | B135892 |
| K2307241 | Certificate of Analysis | Aug 12, 2025 | B135892 |
| K2307238 | Certificate of Analysis | Aug 12, 2025 | B135892 |
| J2421363 | Certificate of Analysis | Oct 14, 2024 | B135892 |
| I2509275 | Certificate of Analysis | Jul 03, 2024 | B135892 |
| E2414204 | Certificate of Analysis | Apr 26, 2024 | B135892 |
| E2414208 | Certificate of Analysis | Apr 26, 2024 | B135892 |
| K2302420 | Certificate of Analysis | Oct 18, 2023 | B135892 |
| K2307242 | Certificate of Analysis | Oct 18, 2023 | B135892 |
| Solubility | Soluble in acetone. Slightly soluble in water. |
|---|---|
| Melt Point(°C) | 160.0-166.0°C |
| Molecular Weight | 294.300 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 294.1 Da |
| Monoisotopic Mass | 294.1 Da |
| Topological Polar Surface Area | 66.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 451.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
