化工社化工社 化学情報印刷レポート · 研究参考用
HCID 26328作成日：2026年11月4日
PCNU
3-(2-クロロエチル)-1-(2,6-ジオキソピペリジン-3-イル)-3-ニトロソ尿素 · PCNU · N-(2-クロロエチル)-N′-(2,6-ジオキソ-3-ピペリジル)-N-ニトロソ尿素 · 1-(2-クロロエチル)-3-(2,6-ジオキソ-3-ピペリジニル)-1-ニトロソ尿素 · 1-(2-クロロエチル)-3-(2,6-ジオキソ-3-ピペリジル)-1-ニトロソ尿素 · 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea
https://huagongshe.com/ja/chemical/26328
識別子と物理属性
| CAS No. | 13909-02-9 |
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| 分子式 | C8H11ClN4O4 |
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| 平均分子量 | 262.65 g/mol |
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| 単同位体質量 | 262.0468825 g/mol |
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| SMILES | O=NN(CCCl)C(=O)NC1CCC(=O)NC1=O |
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| InChIKey | KHWIRCOLWPNBJP-UHFFFAOYSA-N |
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| PubChem CID | 26328 |
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| ChEMBL | CHEMBL12200 |
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| DTXSID | DTXSID10864453 |
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| 現地名 | PCNU |
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化学・物理的性質
| XLogP | 0.4 |
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| 極性表面積 | 108 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 5 |
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| 回転可能結合数 | 3 |
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| 重原子数 | 17 |
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| 形式電荷 | 0 |
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| 複雑度 | 348 |
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| LogP（分配係数） | 0.37 |
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| 溶解度 | Water < 1 (mg/mL)Water pH 4 < 1 (mg/mL)Water pH 9 2-3 (mg/mL)10% EtOH < 1 (mg/mL)95% EtOH 2-3 (mg/mL)McOH 3-4 (mg/mL) |
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| Stability/Shelf Life | Bulk: A sample stored at 60° C for 10 days decomposed 18% (UV). The compound was found to be stable in bulk form at room temperature exposed to lab light through 60 days (UV, TLC and ionic chloride). For long -term storage the bulk compound should be protected from moisture and stored at -15° C.
Solution: The compound dissolved in 3% methanol/ water decomposed 4% in one hour, 6.5% in three hours 15% in six hours, and 38% in 24 hours (UV). There was no formation of ionic chloride during the 24 hours. Solutions should be prepared immediately before use. |
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| 密度 | 1.8525 (rough estimate) |
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| 屈折率 | 1.6000 (estimate) |
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安全性と法規制
| Toxicity Data | Mouse(po): LD50 35700 lug/kgMouse(iv): LD50 22 mg/kgDog(iv): LDLo, 3 mg/kgMonkey(iv): LDLo 10 mg/kg |
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