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HCID 338030Erstellt: 27. Oktober 2026
4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione
4,4-dimethyl-4H-isoquinoline-1,3-dione · 1,3(2H,4H)-Isoquinolinedione, 4,4-dimethyl- · 4,4-dimethylisoquinoline-1,3(2H,4H)-dione(WXC08802) · 4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
https://huagongshe.com/de/chemical/338030
Identifikatoren & physikalische Daten
| CAS No. | 5488-36-8 |
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| Summenformel | C11H11NO2 |
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| Durchschnittliche Molmasse | 189,21 g/mol |
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| Monoisotopische Masse | 189,07897859 g/mol |
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| SMILES | CC1(C)C(=O)NC(=O)c2ccccc21 |
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| InChIKey | VSRVOIDBBCKMTM-UHFFFAOYSA-N |
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| PubChem CID | 338030 |
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| EC No. | 148-085-4 |
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| DTXSID | DTXSID70203369 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 46,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 283 |
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| Schmelzpunkt | 105-109 °C |
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| Siedepunkt | 357.8±35.0 °C(Predicted) |
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| Dichte | 1.155±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Refrigerator, under inert atmosphere |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 10.32±0.40(Predicted) |
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| Farbe | White to Off-White |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)Eye Irrit. 2 (100%) |
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