識別子と物理属性
| CAS No. | 2616-50-4 |
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| 分子式 | C10H10ClNO |
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| 平均分子量 | 195.64 g/mol |
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| 単同位体質量 | 195.04509162 g/mol |
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| SMILES | O=C(Cl)N1CCCc2ccccc21 |
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| InChIKey | KRGMMKVSHXVQCM-UHFFFAOYSA-N |
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| PubChem CID | 13591069 |
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| EC No. | 896-444-5 |
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| DTXSID | DTXSID10544546 |
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化学・物理的性質
| XLogP | 2.7 |
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| 極性表面積 | 20.3 |
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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 | 1 |
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| 回転可能結合数 | 0 |
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| 重原子数 | 13 |
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| 形式電荷 | 0 |
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| 複雑度 | 207 |
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安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 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 | Acute Tox. 4 (100%) |
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