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HCID 77201Erstellt: 4. November 2026
Methyl-5-amino-1H-1,2,4-triazol-3-carboxylat
ethyl 5-aMino-1H-1,2,4-triazole-3-carboxylate · Asciminib Impurity 21 · 5-AMINO-1H-1 2 4-TRIAZOLE-3-CARBOXYLIC · 3-Amino-5-(methoxycarbonyl)-1,2,4-triazole · Methyl 5-aMino-1,2,4-triazole-3-carboxylate · Methyl 3-aMino-1,2,4-triazole-5-carboxylate · Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate · Methyl 5-aMino-2H-1,2,4-triazole-3-carboxylate
https://huagongshe.com/de/chemical/77201
Identifikatoren & physikalische Daten
| CAS No. | 3641-14-3 |
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| Summenformel | C4H6N4O2 |
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| Durchschnittliche Molmasse | 142,12 g/mol |
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| Monoisotopische Masse | 142,04907545 g/mol |
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| SMILES | COC(=O)c1nc(N)n[nH]1 |
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| InChIKey | OSZNPKRMPBUQLB-UHFFFAOYSA-N |
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| PubChem CID | 77201 |
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| ChEMBL | CHEMBL5402933 |
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| EC No. | 222-869-7 |
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| DTXSID | DTXSID10189936 |
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| Lokaler Name | Methyl-5-amino-1H-1,2,4-triazol-3-carboxylat |
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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 | 2 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 139 |
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| Schmelzpunkt | 218-222 °C (lit.) |
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| Siedepunkt | 379.0±25.0 °C(Predicted) |
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| Dichte | 1.505±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 8.92±0.40(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White |
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| InChI | InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8) |
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| InChIKey | MGRNUMFYRVKLEO-UHFFFAOYSA-N |
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| SMILES | N1C(N)=NC(C(OC)=O)=N1 |
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| CAS Datenbank | 3641-14-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Sens. 1 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 43 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 36/37 |
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| Gefahrenklasse | IRRITANTSkin Sens. 1 |
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| Lagerklasse | 11 - Combustible Solids |
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