識別子と物理属性
| CAS No. | 61789-63-7 |
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| 分子式 | C45H55N3O8 |
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| 平均分子量 | 765.9 g/mol |
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| 単同位体質量 | 765.39891572 g/mol |
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| SMILES | CCCCCOC(=O)Cc1ccc(Cc2ccc(NC(=O)OCCCCOC(=O)Nc3ccc(Cc4ccc(NC(=O)OCCCCC)cc4)cc3)cc2)cc1 |
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| InChIKey | CWEFIMQKSZFZNY-UHFFFAOYSA-N |
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| PubChem CID | 3085227 |
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| EC No. | 682-174-3 |
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| DTXSID | DTXSID40210787 |
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化学・物理的性質
| XLogP | 10.3 |
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| 極性表面積 | 141 |
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| 水素結合供与体数 | 3 |
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| 水素結合受容体数 | 8 |
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| 回転可能結合数 | 26 |
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| 重原子数 | 56 |
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| 形式電荷 | 0 |
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| 複雑度 | 1,110 |
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| 密度 | 1.1-1.2 @25 °C |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (36 of 36) of all reports.Not ClassifiedAggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| 規制情報 | Rubber, urethane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Not Classified |
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| Protective Action Criteria (PAC) | 30 [mg/m3]330 [mg/m3]2000 [mg/m3] |
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