Identifikatoren & physikalische Daten
| CAS No. | 6373-07-5 |
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| Summenformel | C28H31N2O3.C18H35O2 |
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| Durchschnittliche Molmasse | 727 g/mol |
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| Monoisotopische Masse | 726,49717321 g/mol |
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| SMILES | CCCCCCCCCCCCCCCCCC(=O)[O-].CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 |
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| InChIKey | CELKVAQKCIJCLK-UHFFFAOYSA-N |
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| PubChem CID | 61398 |
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| EC No. | 228-908-4 |
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| DTXSID | DTXSID2064284 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 92,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 22 |
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| Schwere Atome | 53 |
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| Formalladung | 0 |
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| Komplexität | 1.010 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (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)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate |
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