2-Aminoanthraquinone
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CAS Number 117-79-3
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Catalog Number io-1689
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Classification Amines
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Molecular Weight 223.2300
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SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N
| Size | QTY | Notes | |
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2-Aminoanthraquinone can cause cancer according to California Labor Code.
| 1 | 2-AMINOANTHRAQUINONE |
| 2 | 2-aminoanthracene-9,10-dione |
| 3 | 9,10-Anthracenedione, 2-amino- |
| 4 | 2-Amino-9,10-anthraquinone |
| 5 | Anthraquinone, 2-amino- |
| Molecular Formula | C14H9NO2 |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N |
| Molecular Weight | 223.2300 |
| InChIKey | XOGPDSATLSAZEK-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2 |
| XLogP | 2.7000 |
| ExactMass | 223.0633 |
| MonoisotopicMass | 223.0633 |
| TPSA | 60.2000 |
| Complexity | 352.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 17 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 12302 |
| PatentFamilyCount | 6461 |
| LiteratureCount | 214 |
