識別子と物理属性
| CAS No. | 1193-65-3 |
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| 分子式 | C7H12ClNO |
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| 平均分子量 | 161.63 g/mol |
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| 単同位体質量 | 161.06074168 g/mol |
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| SMILES | Cl.O=C1CN2CCC1CC2 |
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| InChIKey | RFDPHKHXPMDJJD-UHFFFAOYSA-N |
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| PubChem CID | 102019 |
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| ChEMBL | CHEMBL554124 |
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| EC No. | 214-776-5 |
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| DTXSID | DTXSID4061599 |
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化学・物理的性質
| 極性表面積 | 20.3 |
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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 | 2 |
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| 回転可能結合数 | 0 |
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| 重原子数 | 10 |
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| 形式電荷 | 0 |
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| 複雑度 | 136 |
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| 物質分類 | Nitrogen Compounds -> Other Nitrogen Compounds |
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| Physical Description | Off-white powder[Acros Organics MSDS] |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.8% (1 of 36) of reports.H411 (88.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 36 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| 規制情報 | Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20773 |
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| 有害性の概要 | May cause irritation[Acros Organics MSDS] |
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| Hazard Classes and Categories | Aquatic Chronic 2 (88.9%) |
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