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HCID 584883Erstellt: 27. Oktober 2026
3H-imidazo[4,5-b]pyridin-4-ium-4-olate
1-Deazapurine N3-oxide · Fampridine Impurity 116 · 4-hydroxyimidazo[4,5-b]pyridine · 4-Oxide-3H-iMidazo[4,5-b]pyridine · 1H-Imidazo[4,5-b]pyridine 4-oxide · 3H-Imidazo[4,5-b]pyridine, 4-oxide
https://huagongshe.com/de/chemical/584883
Identifikatoren & physikalische Daten
| CAS No. | 6863-46-3 |
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| Summenformel | C6H5N3O |
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| Durchschnittliche Molmasse | 135,12 g/mol |
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| Monoisotopische Masse | 135,04326178 g/mol |
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| SMILES | On1cccc2ncnc1-2 |
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| InChIKey | REMGQFLUKHNBEN-UHFFFAOYSA-N |
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| PubChem CID | 584883 |
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| EC No. | 969-517-5 |
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| DTXSID | DTXSID50342826 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
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| Polarare Oberfläche (TPSA) | 50,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 130 |
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| Schmelzpunkt | 252℃(DEC.) |
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| Siedepunkt | 489.8±37.0 °C(Predicted) |
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| Dichte | 1.51 |
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| pKa (Säurekonstante) | 10.36±0.40(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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![Molekülstruktur von 3H-imidazo[4,5-b]pyridin-4-ium-4-olate](/img/chemical/584883.png)