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HCID 98568Erstellt: 3. November 2026
1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester
ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate · NSC 148474 · Ribavirin Impurity 24 · Ethyl 5-Amino-1,2,4-triazole-3-carboxylate · ethyl 5-amino-2H-1,2,4-triazole-3-carboxylate · ethyl 3-azanyl-1H-1,2,4-triazole-5-carboxylate · ETHYL 5-AMINO-4H-[1,2,4]TRIAZOLE-3-CARBOXYLATE · 3-amino-1H-1,2,4-triazole-5-carboxylic acid ethyl ester
https://huagongshe.com/de/chemical/98568
Identifikatoren & physikalische Daten
| CAS No. | 63666-11-5 |
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| Summenformel | C5H8N4O2 |
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| Durchschnittliche Molmasse | 156,14 g/mol |
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| Monoisotopische Masse | 156,06472551 g/mol |
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| SMILES | CCOC(=O)c1nc(N)n[nH]1 |
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| InChIKey | MLVNUTAJXZZPCJ-UHFFFAOYSA-N |
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| PubChem CID | 98568 |
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| EC No. | 675-026-4 |
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| DTXSID | DTXSID3069980 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
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| Polarare Oberfläche (TPSA) | 93,9 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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| Schmelzpunkt | 242-243℃ |
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| Siedepunkt | 373.9±25.0 °C(Predicted) |
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| Dichte | 1.408 |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa (Säurekonstante) | 8.92±0.40(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Off-white |
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| InChI | InChI=1S/C5H8N4O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H3,6,7,8,9) |
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| InChIKey | MLVNUTAJXZZPCJ-UHFFFAOYSA-N |
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| SMILES | N1C(N)=NC(C(OCC)=O)=N1 |
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| EPA chemische Informationen | 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, ethyl ester (63666-11-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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| Hazard Classes and Categories | Skin Irrit. 2 (50%)Skin Irrit. 2 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2933998090 |
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