HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 100614Erstellt: 27. Oktober 2026
1-((Pyrrolidin-1-carbonyl)methyl)piperazin
1-(PYRROLIDINOCARBONYLMETHYL)PIPERAZINE · TIMTEC-BB SBB005547 · RARECHEM AH CK 0169 · Cinepazide Impurity E · Cinepazide Impurity B · LABOTEST-BB LT00233248 · Cinepazide Impurities11 · Cinepazide Impurities1399
https://huagongshe.com/de/chemical/100614
Identifikatoren & physikalische Daten
| CAS No. | 39890-45-4 |
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| Summenformel | C10H19N3O |
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| Durchschnittliche Molmasse | 197,28 g/mol |
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| Monoisotopische Masse | 197,15281223 g/mol |
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| SMILES | O=C(CN1CCNCC1)N1CCCC1 |
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| InChIKey | KYBCXTTWIOZBNR-UHFFFAOYSA-N |
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| PubChem CID | 100614 |
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| ChEMBL | CHEMBL442202 |
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| EC No. | 254-677-4 |
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| DTXSID | DTXSID70192926 |
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| Lokaler Name | 1-((Pyrrolidin-1-carbonyl)methyl)piperazin |
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Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
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| Polarare Oberfläche (TPSA) | 35,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 196 |
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| Schmelzpunkt | 75 °C |
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| Siedepunkt | 356.2±27.0 °C(Predicted) |
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| Dichte | 1.092±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| pKa (Säurekonstante) | 9.02±0.10(Predicted) |
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| CAS Datenbank | 39890-45-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38-36-22-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36-24/25-22 |
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| Gefahrenklasse | IRRITANT |
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