Identifikatoren & physikalische Daten
| CAS No. | 629-79-8 |
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| Summenformel | C16H31N |
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| Durchschnittliche Molmasse | 237,42 g/mol |
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| Monoisotopische Masse | 237,24564999 g/mol |
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| SMILES | CCCCCCCCCCCCCCCC#N |
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| InChIKey | WGXGAUQEMYSVJM-UHFFFAOYSA-N |
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| PubChem CID | 69424 |
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| ChEMBL | CHEMBL1952291 |
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| ChEBI | CHEBI:219523 |
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| EC No. | 211-110-5 |
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| DTXSID | DTXSID5027271 |
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| Lokaler Name | Hexadecannitril |
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Chemische & physikalische Eigenschaften
| XLogP | 6,9 |
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| Polarare Oberfläche (TPSA) | 23,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 13 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 177 |
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| Lipide | Fatty Acyls [FA] -> Fatty nitriles [FA09] |
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| SpringerMaterials Properties | Boiling point |
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| Schmelzpunkt | 31.5°C |
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| Siedepunkt | 333.05°C |
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| Dichte | 0.8303 |
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| Brechungsindex | 1.4450 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| LogP (Verteilungskoeffizient) | 6.990 (est) |
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| EPA chemische Informationen | Palmitonitrile (629-79-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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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| TSCA-Inventar-Status | TSCA listed |
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