HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 26328Erstellt: 1. November 2026
1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidinyl)-1-nitrosourea
PCNU · 1-(2-Chloroethyl)-3-(2,6-dioxo-3-piperidyl)-1-nitrosourea
https://huagongshe.com/de/chemical/26328
Identifikatoren & physikalische Daten
| CAS No. | 13909-02-9 |
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| Summenformel | C8H11ClN4O4 |
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| Durchschnittliche Molmasse | 262,65 g/mol |
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| Monoisotopische Masse | 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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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 108 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 348 |
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| LogP (Verteilungskoeffizient) | 0.37 |
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| Löslichkeit | 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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| Dichte | 1.8525 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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Sicherheit & Vorschriften
| 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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