Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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analytical standard, ≥99%(HPLC) Analytical standard 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 191 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 508811630 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/508811630 |
| Canonical Smiles | C1(=O)NC(=O)NC(=O)N1 |
| IUPAC Name | 1,3,5-triazinane-2,4,6-trione |
| InChIKey | ZFSLODLOARCGLH-UHFFFAOYSA-N |
| INCHI | 1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9) |
| Isomeric SMILES | C1(=O)NC(=O)NC(=O)N1 |
| WGK Germany | 1 |
| Molecular Weight | 129.07 |
| Beilstein | 26239 |
| Reaxy-Rn | 126982 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126982&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 | Triazines |
| Subclass | 1,3,5-triazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3,5-triazines |
| Alternative Parents | Heteroaromatic compounds Polyols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,3,5-triazine - Heteroaromatic compound - Azacycle - Polyol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3,5-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5. |
| External Descriptors | an aromatic compound |
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| Solubility | Slightly soluble in water, slightly soluble in ethanol, soluble in concentrated sulfuric acid and hot inorganic acids. |
|---|---|
| Melt Point(°C) | 360°C |
| Molecular Weight | 129.070 g/mol |
| XLogP3 | -1.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 129.017 Da |
| Monoisotopic Mass | 129.017 Da |
| Topological Polar Surface Area | 87.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| 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 |
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