≥98 atom% 13C,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 | C1(=O)NC(=O)NC(=O)N1 |
|---|---|
| IUPAC Name | (2,4,6-13C3)1,3,5-triazinane-2,4,6-trione |
| InChIKey | ZFSLODLOARCGLH-VMIGTVKRSA-N |
| INCHI | 1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/i1+1,2+1,3+1 |
| Isomeric SMILES | [13C]1(=O)N[13C](=O)N[13C](=O)N1 |
| WGK Germany | 1 |
| Alternate CAS | 108-80-5（unlabelled） |
| Molecular Weight | 132.05 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazines |
| Subclass | Triazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinones |
| Alternative Parents | 1,3,5-triazines Heteroaromatic compounds Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom. |
| External Descriptors | Not available |
| Solubility | DMSO |
|---|---|
| Sensitivity | Light sensitive；Moisture sensitive； |
| Melt Point(°C) | > 320 °C |
| Molecular Weight | 132.050 g/mol |
| XLogP3 | -1.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 132.028 Da |
| Monoisotopic Mass | 132.028 Da |
| Topological Polar Surface Area | 87.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| Isotope Atom Count | 3 |
| 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 |
