HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5774645Erstellt: 4. November 2026
3-(1-(tert-Butoxycarbonyl)-1H-imidazol-4-yl)acrylic acid
1H-Imidazole-1-carboxylic acid, 4-(2-carboxyethenyl)-, 1-(1,1-dimethylethyl) ester
https://huagongshe.com/de/chemical/5774645
Identifikatoren & physikalische Daten
| CAS No. | 81653-88-5 |
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| Summenformel | C11H14N2O4 |
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| Durchschnittliche Molmasse | 238,24 g/mol |
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| Monoisotopische Masse | 238,09535693 g/mol |
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| SMILES | CC(C)(C)OC(=O)n1cnc(/C=C/C(=O)O)c1 |
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| InChIKey | BGNMSJBSPKDGNR-SNAWJCMRSA-N |
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| PubChem CID | 5774645 |
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| EC No. | 119-559-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 81,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 333 |
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| Siedepunkt | 405.9±37.0 °C(Predicted) |
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| Dichte | 1.20±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.54±0.10(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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