9-Aminoacridine hydrochloride monohydrate
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CAS Number 52417-22-8
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Catalog Number io-57759
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Classification Salts
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Molecular Weight 248.7100
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SMILES C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl
| Size | QTY | Notes | |
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9-Aminoacridine, monohydrochloride, monohydrate is a member of acridines.
| 1 | 9-Aminoacridine hydrochloride monohydrate |
| 2 | 9-Aminoacridine hydrochloride hydrate |
| 3 | acridin-9-amine hydrochloride hydrate |
| 4 | acridin-9-amine;hydrate;hydrochloride |
| 5 | 9-Acridinamine, monohydrochloride, monohydrate |
| Molecular Formula | C13H13ClN2O |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl |
| Molecular Weight | 248.7100 |
| InChIKey | OREJEGKBQBIJSJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H10N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H2,14,15);1H;1H2 |
| XLogP | 0.0000 |
| ExactMass | 248.0716 |
| MonoisotopicMass | 248.0716 |
| TPSA | 39.9000 |
| Complexity | 207.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 17 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 63 |
| PatentFamilyCount | 22 |
| LiteratureCount | 40 |
