≥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.
Description
Used as a microreagent for potassium with which it forms a characteristic precipitate.
| Canonical Smiles | C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-].O |
|---|---|
| IUPAC Name | 5-nitro-1,3-diazinane-2,4,6-trione;hydrate |
| InChIKey | YKGZAIJTCJOZNK-UHFFFAOYSA-N |
| INCHI | 1S/C4H3N3O5.H2O/c8-2-1(7(11)12)3(9)6-4(10)5-2;/h1H,(H2,5,6,8,9,10);1H2 |
| Isomeric SMILES | C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-].O |
| WGK Germany | 3 |
| PubChem CID | 2781274 |
| Molecular Weight | 191.1 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents | Nitropyrimidines Barbituric acid derivatives N-acyl ureas Diazinanes 1,3-dicarbonyl compounds Dicarboximides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Barbiturate - Nitropyrimidine - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - 1,3-dicarbonyl compound - Dicarboximide - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Urea - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 191.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 191.018 Da |
| Monoisotopic Mass | 191.018 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 | 2 |
