識別子と物理属性
| CAS No. | 617698-12-1 |
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| 分子式 | C19H21BrN2O3S2 |
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| 平均分子量 | 469.4 g/mol |
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| 単同位体質量 | 468.0177 g/mol |
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| SMILES | CCCN1C(=O)/C(=C2\SC(=S)N(CCCOCC)C2=O)c2cc(Br)ccc21 |
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| InChIKey | OLKUGDSVQKOFQO-NXVVXOECSA-N |
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| PubChem CID | 2139123 |
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| EC No. | 638-524-2 |
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化学・物理的性質
| XLogP | 4 |
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| 極性表面積 | 107 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 5 |
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| 回転可能結合数 | 7 |
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| 重原子数 | 27 |
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| 形式電荷 | 0 |
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| 複雑度 | 655 |
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安全性と法規制
| GHS 分類 | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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