Identifikatoren & physikalische Daten
| CAS No. | 744221-34-9 |
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| Summenformel | C6H7NO |
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| Durchschnittliche Molmasse | 109,13 g/mol |
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| SMILES | OCc1cccnc1 |
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| InChIKey | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
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| ChEMBL | CHEMBL1235535 |
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| ChEBI | CHEBI:45213 |
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| EC No. | 202-864-6 |
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Chemische & physikalische Eigenschaften
| XLogP | 0 |
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| Polarare Oberfläche (TPSA) | 33,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 65,5 |
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| Stoffklassen | Nitrogen Compounds -> Pyridines |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Kosmetika | Tonic |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | -0.02 |
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| Dampfdruck | 0.02 [mmHg] |
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| Physical Description | Highly hygroscopic liquid[Merck Index] Clear light yellow to yellow hygroscopic liquid[Acros Organics MSDS] |
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| Collision Cross Section | 119.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID6023367] |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (91.7%): 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 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/222233-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | No fetal toxicity observed in mice orally administered up to 1,000 mg/kg during organogenesis[Shepard's Catalog of Teratogenic Agents] Intravenous LD50 (mouse) = 1,000 mg/kg[RTECS] An irritantHarmful by ingestion[Acros Organics MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (91.7%) |
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