≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Sonrisas canónicas | CN(C)C1=CC=C(C=C1)N2C(=O)NNC2=O |
|---|---|
| IUPAC Name | 4-[4-(dimethylamino)phenyl]-1,2,4-triazolidine-3,5-dione |
| InChIKey | MMIRDFLZTSMUQF-UHFFFAOYSA-N |
| INCHI | 1S/C10H12N4O2/c1-13(2)7-3-5-8(6-4-7)14-9(15)11-12-10(14)16/h3-6H,1-2H3,(H,11,15)(H,12,16) |
| Isómeros SMILES | CN(C)C1=CC=C(C=C1)N2C(=O)NNC2=O |
| PubChem CID | 23583627 |
| Peso molecular | 220.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Urazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Urazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 220.230 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 220.096 Da |
| Monoisotopic Mass | 220.096 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| 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 |
