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HCID 40409Erstellt: 4. November 2026

Ethyl 4,5,6,7-tetrahydro-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylate

2-PHENYLACETYLAMINO-4,5,6,7-4H-BENZO(B)THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER · ethyl 2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate · Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(2-phenylacetyl)amino]-, ethyl ester

https://huagongshe.com/de/chemical/40409

Molekülstruktur von Ethyl 4,5,6,7-tetrahydro-2-((2-phenylacetyl)amino)benzo(b)thiophene-3-carboxylate

Identifikatoren & physikalische Daten

CAS No.52535-69-0
SummenformelC19H21NO3S
Durchschnittliche Molmasse343,4 g/mol
Monoisotopische Masse343,12421471 g/mol
SMILESCCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2
InChIKeyANKZPSQIMCYPIC-UHFFFAOYSA-N
PubChem CID40409
ChEMBLCHEMBL1922942
EC No.158-962-3
DTXSIDDTXSID30966968

Chemische & physikalische Eigenschaften

XLogP4,7
Polarare Oberfläche (TPSA)83,6
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen6
Schwere Atome24
Formalladung0
Komplexität450

Sicherheit & Vorschriften

GHS-EinstufungH413 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAquatic Chronic 4 (100%)