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HCID 626432Erstellt: 4. November 2026
13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecan
PHENYLAZA-15-CROWN-5 · N-PHENYLAZA-15-CROWN-5 · LABOTEST-BB LT00441378 · Phenylaza-15-crown-5,98% · -Phenylaza-15-crown 5-Ether · N-PHENYLAZA-15-CROWN 5-ETHER · N-Phenylaza-15-crown5-Ether>CROWN ETHER/N-PHENYLAZA-15-CROWN-5 · CROWN ETHER/N-PHENYLAZA-15-CROWN-5 FOR S
https://huagongshe.com/de/chemical/626432
Identifikatoren & physikalische Daten
| CAS No. | 66750-10-5 |
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| Summenformel | C16H25NO4 |
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| Durchschnittliche Molmasse | 295,37 g/mol |
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| Monoisotopische Masse | 295,17835828 g/mol |
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| SMILES | c1ccc(N2CCOCCOCCOCCOCC2)cc1 |
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| InChIKey | SGDQOAKAHLFKBV-UHFFFAOYSA-N |
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| PubChem CID | 626432 |
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| ChEMBL | CHEMBL1725677 |
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| EC No. | 266-470-6 |
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| DTXSID | DTXSID40216885 |
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| Lokaler Name | 13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecan |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 40,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 230 |
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| Löslichkeit | >44.3 [ug/mL] (The mean of the results at pH 7.4)almost transparency in Methanol |
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| Schmelzpunkt | 46 °C |
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| Siedepunkt | 437.06°C (rough estimate) |
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| Dichte | 1.0647 (rough estimate) |
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| Brechungsindex | 1.4909 (estimate) |
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| Lagerbedingungen | Store below +30°C. |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 5.16±0.40(Predicted) |
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| Farbe | White to Light yellow to Light red |
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| InChI | 1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2 |
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| InChIKey | SGDQOAKAHLFKBV-UHFFFAOYSA-N |
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| SMILES | N2(CCOCCOCCOCCOCC2)c1ccccc1 |
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| CAS Datenbank | 66750-10-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | 13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.4%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2934.99.4400 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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