識別子と物理属性
| CAS No. | 824-21-5 |
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| 分子式 | C9H11N |
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| 平均分子量 | 133.19 g/mol |
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| 単同位体質量 | 133.08914935 g/mol |
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| SMILES | CN1CCc2ccccc21 |
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| InChIKey | FIRXFHJQGIIJDB-UHFFFAOYSA-N |
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| PubChem CID | 55830 |
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| EC No. | 810-611-1 |
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| DTXSID | DTXSID30237064 |
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化学・物理的性質
| XLogP | 2.1 |
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| 極性表面積 | 3.2 |
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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 | 10 |
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| 形式電荷 | 0 |
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| 複雑度 | 122 |
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| 外観・状態 | oil |
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| 色 | Yellow |
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安全性と法規制
| GHS 分類 | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| 税関コード | 2933998090 |
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