識別子と物理属性
| CAS No. | 42308-20-3 |
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| 分子式 | C9H10BrNO |
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| 平均分子量 | 228.09 g/mol |
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| 単同位体質量 | 226.99458 g/mol |
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| SMILES | CC(Br)C(=O)Nc1ccccc1 |
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| InChIKey | OPPUMGDCQYPOSM-UHFFFAOYSA-N |
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| PubChem CID | 99113 |
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| EC No. | 622-295-0 |
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| DTXSID | DTXSID801023340 |
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化学・物理的性質
| XLogP | 2.1 |
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| 極性表面積 | 29.1 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 1 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 12 |
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| 形式電荷 | 0 |
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| 複雑度 | 155 |
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安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| 税関コード | 2924297099 |
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用途
使用
2-Bromo-N-phenyl-propanamide is an intermediate in the synthesis of Diampromide Hydrochloride (D416905), which is a ring-opened analog of Fentanyl (F274990). An opioid analgesic with potency similar to morphine.
