Identifikatoren & physikalische Daten
| CAS No. | 1187-84-4 |
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| Summenformel | C4H9NO2S |
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| Durchschnittliche Molmasse | 135,19 g/mol |
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| Monoisotopische Masse | 135,03539953 g/mol |
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| SMILES | CSC[C@H](N)C(=O)O |
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| InChIKey | IDIDJDIHTAOVLG-VKHMYHEASA-N |
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| PubChem CID | 24417 |
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| ChEMBL | CHEMBL394875 |
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| ChEBI | CHEBI:45658 |
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| EC No. | 214-701-6 |
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| DTXSID | DTXSID50862579 |
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Chemische & physikalische Eigenschaften
| XLogP | -2,7 |
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| Polarare Oberfläche (TPSA) | 88,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 86,1 |
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| Stoffklassen | Biological Agents -> Amino Acids and Derivatives |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
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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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| Gefahrenübersicht | Not considered hazardous by GHS classification[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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