Introduction：Basic information about CAS 844639-07-2|2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate |
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| CAS Number | 844639-07-2 | Molecular Weight | 425.544 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 569.1±60.0 °C at 760 mmHg |
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| Molecular Formula | C23H27N3O3S | Melting Point | / |
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| MSDS | / | Flash Point | 298.0±32.9 °C |
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Names
| Name | 11-[4-[2-(2-(2-acetyloxy)ethoxy)ethyl]-1-piperazinyl]dibenzo [b,f][1,4]thiazepine |
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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 | 569.1±60.0 °C at 760 mmHg |
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| Molecular Formula | C23H27N3O3S |
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| Molecular Weight | 425.544 |
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| Flash Point | 298.0±32.9 °C |
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| Exact Mass | 425.177307 |
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| PSA | 79.67000 |
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| LogP | 2.28 |
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| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
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| Index of Refraction | 1.630 |
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| InChIKey | PBAGNAROQHNFON-UHFFFAOYSA-N |
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| SMILES | CC(=O)OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
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Synonyms
| 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate |
| Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, acetate (ester) |
| quetiapine |
| 2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethoxy}ethyl acetate |
| Quetiapine Impurity 3 |
