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HCID 90641Erstellt: 25. Oktober 2026

7-[3-(Benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purin-2,6-dion

Einecs 246-518-2 · 7-(N-Benzyl-3-aminopropyl))theophylline · 7-[3-(benzylamino)propyl]-1,3-dimethylpurine-2,6-dione · 7-[3-(benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione · 3,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione · 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-

https://huagongshe.com/de/chemical/90641

Molekülstruktur von 7-[3-(Benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purin-2,6-dion

Identifikatoren & physikalische Daten

CAS No.24890-70-8
SummenformelC17H21N5O2
Durchschnittliche Molmasse327,4 g/mol
Monoisotopische Masse327,16952491 g/mol
SMILESCn1c(=O)c2c(ncn2CCCNCc2ccccc2)n(C)c1=O
InChIKeyOVKWXBYMGXFCRZ-UHFFFAOYSA-N
PubChem CID90641
EC No.246-518-2
DTXSIDDTXSID60179589
Lokaler Name7-[3-(Benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purin-2,6-dion

Chemische & physikalische Eigenschaften

XLogP0,9
Polarare Oberfläche (TPSA)70,5
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen6
Schwere Atome24
Formalladung0
Komplexität466

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesNot Classified