≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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(=NC(=O)NC(=O)N1)N |
|---|---|
| IUPAC Name | 6-amino-(2,4,6-13C3)1H-1,3,5-triazine-2,4-dione |
| InChIKey | YSKUZVBSHIWEFK-VMIGTVKRSA-N |
| INCHI | 1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)/i1+1,2+1,3+1 |
| Isomeric SMILES | [13C]1(=N[13C](=O)N[13C](=O)N1)N |
| PubChem CID | 46780371 |
| Molecular Weight | 131.07 |
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 | Triazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinones |
| Alternative Parents | Aminotriazines 1,3,5-triazines Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Amino-1,3,5-triazine - Aminotriazine - Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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 |
| Molecular Weight | 131.070 g/mol |
|---|---|
| XLogP3 | -1.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 131.043 Da |
| Monoisotopic Mass | 131.043 Da |
| Topological Polar Surface Area | 96.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| 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 |
