1-Amino-2-methylanthraquinone
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CAS Number 82-28-0
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Catalog Number io-1692
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Classification Amines
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Molecular Weight 237.2500
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SMILES CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N
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1-Amino-2-methylanthraquinone can cause cancer according to California Labor Code.
| 1 | 1-AMINO-2-METHYLANTHRAQUINONE |
| 2 | Disperse Orange 11 |
| 3 | 1-amino-2-methylanthracene-9,10-dione |
| 4 | Disperse Orange |
| 5 | Cilla Orange R |
| Molecular Formula | C15H11NO2 |
|---|---|
| Canonical SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N |
| Isomeric SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N |
| Molecular Weight | 237.2500 |
| InChIKey | ZLCUIOWQYBYEBG-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3 |
| XLogP | 3.1000 |
| ExactMass | 237.0790 |
| MonoisotopicMass | 237.0790 |
| TPSA | 60.2000 |
| Complexity | 379.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 3706 |
| PatentFamilyCount | 2082 |
| LiteratureCount | 173 |
