≥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.
| Canonical Smiles | C1C[N+]2=C3N1C(=O)NC(=O)C3=NC4=CC=CC=C42.[Cl-] |
|---|---|
| IUPAC Name | 8,11,13-triaza-1-azoniatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8-pentaene-10,12-dione;chloride |
| InChIKey | UKQDCOMWRMLNKZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H8N4O2.ClH/c17-10-9-11-15(5-6-16(11)12(18)14-10)8-4-2-1-3-7(8)13-9;/h1-4H,5-6H2;1H |
| Isomeric SMILES | C1C[N+]2=C3N1C(=O)NC(=O)C3=NC4=CC=CC=C42.[Cl-] |
| PubChem CID | 11196659 |
| Molecular Weight | 276.68 |
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 | Pteridines and derivatives |
| Subclass | Alloxazines and isoalloxazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alloxazines and isoalloxazines |
| Alternative Parents | Quinoxalines Imidazopyrazines Imidazopyrimidines Pyrimidones Pyrazinium compounds Pyrazines Benzenoids Vinylogous amides Azoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organonitrogen compounds Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoalloxazine - Quinoxaline - Imidazopyrimidine - Imidazopyrazine - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Pyrazinium - Azole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alloxazines and isoalloxazines. These are organic compounds comprising the (iso)alloxazine structure (Benzo[g]pteridine-2,4-dione). |
| External Descriptors | Not available |
| Molecular Weight | 276.680 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 276.041 Da |
| Monoisotopic Mass | 276.041 Da |
| Topological Polar Surface Area | 66.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 413.000 |
| 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 |
