HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 54563Erstellt: 3. November 2026
Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride
2-Phenylbutyric acid 3-quinuclidinyl ester hydrochloride · 1-AZABICYCLO(2.2.2)OCT-3-YL 2-PHENYLBUTANOATE HYDROCHLORIDE
https://huagongshe.com/de/chemical/54563
Identifikatoren & physikalische Daten
| CAS No. | 80381-21-1 |
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| Summenformel | C17H24ClNO2 |
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| Durchschnittliche Molmasse | 309,8 g/mol |
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| Monoisotopische Masse | 309,1495567 g/mol |
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| SMILES | CCC(C(=O)OC1C[NH+]2CCC1CC2)c1ccccc1.[Cl-] |
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| InChIKey | QLDOORIMSHRBPP-UHFFFAOYSA-N |
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| PubChem CID | 54563 |
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| EC No. | 144-037-1 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 30,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 330 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 | Skin Irrit. 2 (100%) |
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