≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | -1.6 |
|---|
| Sonrisas canónicas | C(CN1C(=O)N(C(=O)N(C1=O)CCC#N)CCC#N)C#N |
|---|---|
| IUPAC Name | 3-[3,5-bis(2-cyanoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanenitrile |
| InChIKey | UUBUCLKOQKIWKA-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N6O3/c13-4-1-7-16-10(19)17(8-2-5-14)12(21)18(11(16)20)9-3-6-15/h1-3,7-9H2 |
| Isómeros SMILES | C(CN1C(=O)N(C(=O)N(C1=O)CCC#N)CCC#N)C#N |
| PubChem CID | 223764 |
| Peso molecular | 288.26 |
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 |
| Clase | Triazines |
| Subclass | Triazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinones |
| Alternative Parents | 1,3,5-triazines Heteroaromatic compounds Ureas Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 288.260 g/mol |
|---|---|
| XLogP3 | -1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 288.097 Da |
| Monoisotopic Mass | 288.097 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 491.000 |
| 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 |
