HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 114Erstellt: 4. November 2026
3-Pyridinebutanoic acid
3-Pyridinebutanoic acid · 4-(pyridin-3-yl)butanoic acid
https://huagongshe.com/de/chemical/114
Identifikatoren & physikalische Daten
| CAS No. | 17270-50-7 |
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| Summenformel | C9H11NO2 |
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| Durchschnittliche Molmasse | 165,19 g/mol |
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| SMILES | O=C(O)CCCc1cccnc1 |
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| InChIKey | MFYZACBRKCFXDV-UHFFFAOYSA-N |
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| PubChem CID | 114 |
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| ChEMBL | CHEMBL3544626 |
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| ChEBI | CHEBI:173736 |
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| EC No. | 179-702-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 50,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 147 |
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| Physical Description | Solid |
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| Siedepunkt | 324.1±17.0 °C(Predicted) |
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| Dichte | 1.154±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 4.60±0.10(Predicted) |
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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, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
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