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HCID 196441Erstellt: 27. Oktober 2026
6-(N-(4-aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione
ABEI · ABEIN · N-(4-Aminobutyl)-N-e · Aminobutylethylisoluminol · N-(4-AMINOBUTYL)-N-ETHYLISOLUMIOL · (4-Aminobutyl)-N-Ethyl-Isoluminol · N-(4-AMINOBUTYL)-N-ETHYLISOLUMINOL · ABEI N-(4-AMINOBUTYL)-N-ETHYLISOLUMINOL
https://huagongshe.com/de/chemical/196441
Identifikatoren & physikalische Daten
| CAS No. | 66612-29-1 |
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| Summenformel | C14H20N4O2 |
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| Durchschnittliche Molmasse | 276,33 g/mol |
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| Monoisotopische Masse | 276,15862588 g/mol |
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| SMILES | CCN(CCCCN)c1ccc2c(=O)[nH][nH]c(=O)c2c1 |
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| InChIKey | LEOJISUPFSWNMA-UHFFFAOYSA-N |
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| PubChem CID | 196441 |
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| ChEBI | CHEBI:189286 |
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| EC No. | 677-142-0 |
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| DTXSID | DTXSID60216781 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 87,5 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 361 |
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| Schmelzpunkt | 259-260 °C (lit.) |
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| Dichte | 1.206±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | glacial acetic acid: 50mg/mL, clear, colorless to yellow |
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| pKa (Säurekonstante) | 10.83±0.20(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow |
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| BRN | 920895 |
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| InChI | 1S/C14H20N4O2/c1-2-18(8-4-3-7-15)10-5-6-11-12(9-10)14(20)17-16-13(11)19/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,19)(H,17,20) |
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| InChIKey | LEOJISUPFSWNMA-UHFFFAOYSA-N |
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| SMILES | CCN(CCCCN)c1ccc2C(=O)NNC(=O)c2c1 |
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| CAS Datenbank | 66612-29-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 | Skin Irrit. 2 (100%) |
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| F | 8-10-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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