識別子と物理属性
| CAS No. | 51304-61-1 |
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| 分子式 | C11H13Cl2N |
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| 平均分子量 | 230.13 g/mol |
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| 単同位体質量 | 229.04250478 g/mol |
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| SMILES | Cl.Clc1ccc(C2=CCNCC2)cc1 |
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| InChIKey | NGDJUNABWNTULX-UHFFFAOYSA-N |
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| PubChem CID | 2723612 |
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| ChEMBL | CHEMBL2011566 |
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| EC No. | 257-126-6 |
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| DTXSID | DTXSID20199304 |
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化学・物理的性質
| 極性表面積 | 12 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 1 |
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| 回転可能結合数 | 1 |
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| 重原子数 | 14 |
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| 形式電荷 | 0 |
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| 複雑度 | 192 |
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安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 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. 3 (100%) |
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