HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 173262Erstellt: 27. Oktober 2026
9H-Pyrido(3,4-b)indole-3-carboxylic acid
9H-Pyrido[3,4-b]indole-3-carboxylic acid · carboline-3-carboxylic acid
https://huagongshe.com/de/chemical/173262
Identifikatoren & physikalische Daten
| CAS No. | 74214-63-4 |
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| Summenformel | C12H8N2O2 |
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| Durchschnittliche Molmasse | 212,2 g/mol |
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| Monoisotopische Masse | 212,0585775 g/mol |
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| SMILES | O=C(O)c1cc2c(cn1)[nH]c1ccccc12 |
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| InChIKey | ARLVFKCLBYUINL-UHFFFAOYSA-N |
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| PubChem CID | 173262 |
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| ChEMBL | CHEMBL11908 |
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| EC No. | 872-753-0 |
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| DTXSID | DTXSID30225209 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 66 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 295 |
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| Löslichkeit | >31.8 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 220-221 °C |
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| Siedepunkt | 538.7±30.0 °C(Predicted) |
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| Dichte | 1.497±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 1.40±0.30(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)Aggregated GHS information provided per 2 reports by companies from 1 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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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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