識別子と物理属性
| CAS No. | 78613-38-4 |
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| 分子式 | C21H36ClNO |
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| 平均分子量 | 354 g/mol |
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| 単同位体質量 | 353.24854245 g/mol |
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| SMILES | CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.Cl |
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| InChIKey | XZKWIPVTHGWDCF-KUZYQSSXSA-N |
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| PubChem CID | 54259 |
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| ChEMBL | CHEMBL4303363 |
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| ChEBI | CHEBI:59649 |
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| EC No. | 689-236-9 |
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| DTXSID | DTXSID80229217 |
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化学・物理的性質
| 極性表面積 | 12.5 |
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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 | 6 |
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| 重原子数 | 24 |
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| 形式電荷 | 0 |
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| 複雑度 | 336 |
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安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 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 | Acute Tox. 4 (100%) |
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