≥95% 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.
| Canonical Smiles | CNC1=C2C(=C(C=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O |
|---|---|
| IUPAC Name | 1-anilino-4-(methylamino)anthracene-9,10-dione |
| InChIKey | TVBNRFCUTVWHQB-UHFFFAOYSA-N |
| INCHI | 1S/C21H16N2O2/c1-22-16-11-12-17(23-13-7-3-2-4-8-13)19-18(16)20(24)14-9-5-6-10-15(14)21(19)25/h2-12,22-23H,1H3 |
| Isomeric SMILES | CNC1=C2C(=C(C=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O |
| Alternate CAS | 3179-96-2,12769-16-3 |
| PubChem CID | 76647 |
| MeSH Entry Terms | 1,4,5,8-tetraaminoanthracene-9,10-dione;C.I. Disperse Blue 1;Disperse Blue 1;Oracet blue |
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 | Benzenoids |
| Class | Anthracenes |
| Subclass | Anthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthraquinones |
| Alternative Parents | Aryl ketones Aniline and substituted anilines Secondary alkylarylamines Vinylogous amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 9,10-anthraquinone - Anthraquinone - Aniline or substituted anilines - Aryl ketone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Vinylogous amide - Ketone - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. |
| External Descriptors | Not available |
| Molecular Weight | 328.400 g/mol |
|---|---|
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 328.121 Da |
| Monoisotopic Mass | 328.121 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 514.000 |
| 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 |
