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HCID 100621Erstellt: 26. Oktober 2026
Isobutyl-2-isobutoxy-2H-chinolin-1-carboxylat
IIDQ · IIDQ,97% · 1-Isobutoxycarbonyl- · LABOTEST-BB LT00440912 · isobutyl 2-isobutoxy-2H-quinoline-1-carboxylate · Isobutyl 2-isobutoxyquinoline-1(2H)-carboxylate · iidq (2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydro · N-ISOBUTOXYCARBONYL-2-ISOBUTOXY-1,2 DIHYDROQUINONE
https://huagongshe.com/de/chemical/100621
Identifikatoren & physikalische Daten
| CAS No. | 38428-14-7 |
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| Summenformel | C18H25NO3 |
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| Durchschnittliche Molmasse | 303,4 g/mol |
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| Monoisotopische Masse | 303,18344366 g/mol |
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| SMILES | CC(C)COC(=O)N1c2ccccc2C=CC1OCC(C)C |
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| InChIKey | LPBHYOYZZIFCQT-UHFFFAOYSA-N |
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| PubChem CID | 100621 |
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| EC No. | 253-925-9 |
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| DTXSID | DTXSID401182619 |
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| Lokaler Name | Isobutyl-2-isobutoxy-2H-chinolin-1-carboxylat |
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Chemische & physikalische Eigenschaften
| XLogP | 4,7 |
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| Polarare Oberfläche (TPSA) | 38,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 392 |
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| Siedepunkt | 140-142 °C0.2 mm Hg(lit.) |
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| Dichte | 1.022 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.523(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | -1.40±0.40(Predicted) |
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| BRN | 1543065 |
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| Hauptanwendungen | peptide synthesis |
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| InChI | InChI=1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3 |
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| InChIKey | LPBHYOYZZIFCQT-UHFFFAOYSA-N |
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| SMILES | N1(C(OCC(C)C)=O)C2=C(C=CC=C2)C=CC1OCC(C)C |
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| CAS Datenbank | 38428-14-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29334900 |
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| R-Sätze (R) | 36/37/38-22-68-45 |
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| Gefahrensymbole | Xn,T |
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| Sicherheitshinweise (S) | 23-24/25-37/39-26-45-36/37-53 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Carc. 1BMuta. 2 |
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