for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3 |
|---|---|
| IUPAC Name | 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylcyclohexa-2,5-diene-1,4-dione |
| InChIKey | JKDLOGLNPDVUCX-UHFFFAOYSA-N |
| INCHI | 1S/C12H14N2O3/c1-7-9(13-2-3-13)12(17)8(6-15)10(11(7)16)14-4-5-14/h15H,2-6H2,1H3 |
| Molecular Weight | 234.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Cyclic ketones - Quinones - Benzoquinones |
| Direct Parent | P-benzoquinones |
| Alternative Parents | Vinylogous amides N-vinylaziridines Trialkylamines Enamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | P-benzoquinone - Vinylogous amide - Vinylaziridine - N-vinylaziridine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Enamine - Aziridine - Azacycle - Organic oxide - Organopnictogen compound - Alcohol - Primary alcohol - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 234.250 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 234.1 Da |
| Monoisotopic Mass | 234.1 Da |
| Topological Polar Surface Area | 60.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 482.000 |
| 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 |
