Introduction：Basic information about CAS 1011758-00-1|4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinecarboxylic acid 2-(2-hydroxyethoxy)e, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinecarboxylic acid 2-(2-hydroxyethoxy)ethyl ester |
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| CAS Number | 1011758-00-1 | Molecular Weight | 427.51700 |
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| Density | 1.33±0.1 g/cm3 | Boiling Point | / |
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| Molecular Formula | C22H25N3O4S | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 2-(2-hydroxyethoxy)ethyl-2-[2-[4-dibenzo[b,f][1,4]thiazepine]-11-piperazinyl]-1-carboxylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.33±0.1 g/cm3 |
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| Molecular Formula | C22H25N3O4S |
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| Molecular Weight | 427.51700 |
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| Exact Mass | 427.15700 |
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| PSA | 99.90000 |
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| LogP | 2.30400 |
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| InChIKey | XDXHTKGPVLDSCK-UHFFFAOYSA-N |
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| SMILES | O=C(OCCOCCO)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 |
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| Water Solubility | Insuluble (5.6E-3 g/L) (25 ºC) |
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Synonyms
| Quetiapine Carboxylate Impurity |
| 4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinecarboxylic acid 2-(2-hydroxyethoxy)ethyl ester |
| Quetiapine Impurity 37 |
