Identifikatoren & physikalische Daten
| CAS No. | 6301-13-9 |
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| Summenformel | C10H13NO2 |
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| Durchschnittliche Molmasse | 179,22 g/mol |
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| Monoisotopische Masse | 179,09462866 g/mol |
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| SMILES | NCCCc1ccc2c(c1)OCO2 |
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| InChIKey | CLJLCLGOWKOKJF-UHFFFAOYSA-N |
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| PubChem CID | 413015 |
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| EC No. | 884-291-7 |
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| DTXSID | DTXSID00328675 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 44,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 163 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+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. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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