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HCID 87935Erstellt: 26. Oktober 2026

2-Butyl-6-(butylamino)-1H-benz[de]isochinolin-1,3(2H)-dion

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https://huagongshe.com/de/chemical/87935

Molekülstruktur von 2-Butyl-6-(butylamino)-1H-benz[de]isochinolin-1,3(2H)-dion

Identifikatoren & physikalische Daten

CAS No.19125-99-6
SummenformelC20H24N2O2
Durchschnittliche Molmasse324,4 g/mol
Monoisotopische Masse324,18377801 g/mol
SMILESCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCC)C2=O
InChIKeyDXWHZJXKTHGHQF-UHFFFAOYSA-N
PubChem CID87935
ChEMBLCHEMBL1472131
EC No.242-828-7
DTXSIDDTXSID3051830
Lokaler Name2-Butyl-6-(butylamino)-1H-benz[de]isochinolin-1,3(2H)-dion

Chemische & physikalische Eigenschaften

XLogP4,6
Polarare Oberfläche (TPSA)49,4
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen7
Schwere Atome24
Formalladung0
Komplexität465
Löslichkeit2.1 [ug/mL] (The mean of the results at pH 7.4)50.7μg/L at 28℃
Schmelzpunkt126-127℃
Siedepunkt500.4±33.0 °C(Predicted)
Dichte1.174
pKa (Säurekonstante)2.66±0.20(Predicted)
LogP (Verteilungskoeffizient)4.643 at 25℃
EPA chemische Informationen1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-butyl-6-(butylamino)- (19125-99-6)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 69.5% (41 of 59) of all reports.H413 (22%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 reports by companies from 3 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-butyl-6-(butylamino)-REACH registered substance: 2-butyl-6-(butylamino)-1H-benz[de]isoquinoline-1,3(2H)-dione (EC: 242-828-7)1H-Benzdeisoquinoline-1,3(2H)-dione, 2-butyl-6-(butylamino)-: 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.
Hazard Classes and CategoriesAquatic Chronic 4 (22%)
TSCA-Inventar-StatusTSCA listed