HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 283477Erstellt: 27. Oktober 2026
Ethyl 2-aminoquinoline-3-carboxylate
ethyl 2-aminoquinoline-3-carboxylate · 2-Amino-3-quinolinecarboxylic acid ethyl ester · 2-AMINO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER · 3-QUINOLINECARBOXYLIC ACID, 2-AMINO-, ETHYL ESTER
https://huagongshe.com/de/chemical/283477
Identifikatoren & physikalische Daten
| CAS No. | 36926-83-7 |
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| Summenformel | C12H12N2O2 |
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| Durchschnittliche Molmasse | 216,24 g/mol |
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| Monoisotopische Masse | 216,08987762 g/mol |
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| SMILES | CCOC(=O)c1cc2ccccc2nc1N |
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| InChIKey | VTWSVSQLRSMHDM-UHFFFAOYSA-N |
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| PubChem CID | 283477 |
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| EC No. | 988-528-6 |
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| DTXSID | DTXSID40300677 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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| Polarare Oberfläche (TPSA) | 65,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 257 |
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| Schmelzpunkt | 135 °C |
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| Siedepunkt | 348.9±22.0 °C(Predicted) |
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| Dichte | 1.246±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| pKa (Säurekonstante) | 4.84±0.50(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C12H12N2O2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/h3-7H,2H2,1H3,(H2,13,14) |
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| InChIKey | VTWSVSQLRSMHDM-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)c1cc2ccccc2nc1N |
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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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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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