Identifikatoren & physikalische Daten
| CAS No. | 56-91-7 |
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| Summenformel | C8H9NO2 |
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| Durchschnittliche Molmasse | 151,16 g/mol |
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| Monoisotopische Masse | 151,06332853 g/mol |
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| SMILES | NCc1ccc(C(=O)O)cc1 |
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| InChIKey | QCTBMLYLENLHLA-UHFFFAOYSA-N |
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| PubChem CID | 65526 |
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| ChEMBL | CHEMBL328875 |
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| ChEBI | CHEBI:134774 |
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| EC No. | 200-297-9 |
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| DTXSID | DTXSID20204568 |
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Chemische & physikalische Eigenschaften
| XLogP | -1,6 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 139 |
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| Stoffklassen | Nitrogen Compounds -> Aminobenzoic Acids |
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| Arzneimittel | Pharmaceuticals |
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| Animal Drugs | Pharmaceuticals -> Animal Drugs -> Approved in Taiwan |
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| Dampfdruck | 0.000264 [mmHg] |
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| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See p-Aminobenzoic acid. |
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| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
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