化工社化工社 化学情報印刷レポート · 研究参考用
HCID 545926作成日：2026年10月27日
tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
N-Boc-2-(iodomethyl)pyrrolidine · 1-Boc-2-(iodomethyl)pyrrolidine · tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate · tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate · 2-(Iodomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester · 1-Pyrrolidinecarboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester
https://huagongshe.com/ja/chemical/545926
識別子と物理属性
| CAS No. | 177750-73-1 |
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| 分子式 | C10H18INO2 |
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| 平均分子量 | 311.16 g/mol |
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| 単同位体質量 | 311.03823 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CCCC1CI |
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| InChIKey | QCETXLFSWJGTAZ-UHFFFAOYSA-N |
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| PubChem CID | 545926 |
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| EC No. | 860-107-0 |
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| DTXSID | DTXSID80338015 |
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化学・物理的性質
| XLogP | 2.8 |
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| 極性表面積 | 29.5 |
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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 | 2 |
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| 回転可能結合数 | 3 |
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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 | 213 |
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| 沸点 | 319.0±15.0 °C(Predicted) |
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| 密度 | 1.504 |
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| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa（酸解離定数） | -2.38±0.40(Predicted) |
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安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%) |
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