Introduction：Basic information about CAS 861709-47-9|(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(methylamino)-2-naphthalen-1-yl-1-pheny, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(methylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol |
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| CAS Number | 861709-47-9 | Molecular Weight | 541.478 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 706.5±60.0 °C at 760 mmHg |
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| Molecular Formula | C31H29BrN2O2 | Melting Point | / |
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| MSDS | / | Flash Point | 381.1±32.9 °C |
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Names
| Name | (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(methylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 706.5±60.0 °C at 760 mmHg |
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| Molecular Formula | C31H29BrN2O2 |
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| Molecular Weight | 541.478 |
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| Flash Point | 381.1±32.9 °C |
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| Exact Mass | 540.141235 |
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| PSA | 54.38000 |
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| LogP | 5.94 |
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| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
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| Index of Refraction | 1.671 |
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| InChIKey | GOBOQBZOZDRXCQ-BVRKHOPBSA-N |
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| SMILES | CNCCC(O)(c1cccc2ccccc12)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC |
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Synonyms
| N-Monodesmethyl bedaquiline |
| UNII-W96L2O9I1E |
| (1R,2S)-1-(6-Bromo-2-methoxy-3-quinolinyl)-4-(methylamino)-2-(1-naphthyl)-1-phenyl-2-butanol |
| 3-Quinolineethanol, 6-bromo-2-methoxy-α-[2-(methylamino)ethyl]-α-1-naphthalenyl-β-phenyl-, (αS,βR)- |
