Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(T) 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.
| Pubchem Sid | 488188733 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188733 |
| Canonical Smiles | C(CN1C(=O)NC(=O)N(C1=O)CCC(=O)O)C(=O)O |
| IUPAC Name | 3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid |
| InChIKey | JCUMQTAAEUDUPK-UHFFFAOYSA-N |
| INCHI | 1S/C9H11N3O7/c13-5(14)1-3-11-7(17)10-8(18)12(9(11)19)4-2-6(15)16/h1-4H2,(H,13,14)(H,15,16)(H,10,17,18) |
| Isomeric SMILES | C(CN1C(=O)NC(=O)N(C1=O)CCC(=O)O)C(=O)O |
| Molecular Weight | 273.2 |
| Reaxy-Rn | 627397 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=627397&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 | Triazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinones |
| Alternative Parents | Dicarboxylic acids and derivatives 1,3,5-triazines Heteroaromatic compounds Ureas Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triazinone - Dicarboxylic acid or derivatives - 1,3,5-triazine - Heteroaromatic compound - Urea - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 05, 2026 | B152794 | |
| Certificate of Analysis | Dec 12, 2025 | B152794 | |
| Certificate of Analysis | Dec 12, 2025 | B152794 | |
| Certificate of Analysis | Oct 09, 2022 | B152794 | |
| Certificate of Analysis | Oct 09, 2022 | B152794 | |
| Certificate of Analysis | Oct 09, 2022 | B152794 | |
| Certificate of Analysis | Oct 09, 2022 | B152794 | |
| Certificate of Analysis | Oct 09, 2022 | B152794 | |
| Certificate of Analysis | Jan 19, 2022 | B152794 |
| Solubility | Soluble in Dimethylformamide |
|---|---|
| Melt Point(°C) | 289°C(lit.) |
| Molecular Weight | 273.200 g/mol |
| XLogP3 | -1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 273.06 Da |
| Monoisotopic Mass | 273.06 Da |
| Topological Polar Surface Area | 144.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| 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 |