識別子と物理属性
| CAS No. | 67860-00-8 |
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| 分子式 | C26H32N2O |
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| 平均分子量 | 388.5 g/mol |
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| 単同位体質量 | 388.25146365 g/mol |
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| SMILES | CC(CCCC(C)(C)O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |
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| InChIKey | SYOSSKZMWMHVSA-UHFFFAOYSA-N |
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| PubChem CID | 106919 |
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| EC No. | 267-434-2 |
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| DTXSID | DTXSID90867366 |
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化学・物理的性質
| XLogP | 6.4 |
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| 極性表面積 | 51.8 |
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| 水素結合供与体数 | 3 |
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| 水素結合受容体数 | 1 |
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| 回転可能結合数 | 8 |
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| 重原子数 | 29 |
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| 形式電荷 | 0 |
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| 複雑度 | 489 |
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安全性と法規制
| GHS 分類 | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Chemical: 1H-Indole-3-heptanol, .eta.-1H-indol-3-yl-.alpha.,.alpha.,.epsilon.-trimethyl- |
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| その他の安全情報 | IMAP assessments - 1H-Indole-3-heptanol, .eta.-1H-indol-3-yl-.alpha.,.alpha.,.epsilon.-trimethyl-: Human health tier I assessment |
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| Hazard Classes and Categories | Skin Sens. 1 (100%) |
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