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HCID 264105Erstellt: 27. Oktober 2026

ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

AKOS 92578 · AKOS BBB/009 · AKOS B000470 · AKOS MSC-0428 · AKOS BBS-00004585 · BUTTPARK 96\57-70 · IFLAB-BB F1386-0049 · OTAVA-BB BB0125160050

https://huagongshe.com/de/chemical/264105

Molekülstruktur von ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

Identifikatoren & physikalische Daten

CAS No.4815-29-6
SummenformelC10H13NO2S
Durchschnittliche Molmasse211,28 g/mol
Monoisotopische Masse211,06669966 g/mol
SMILESCCOC(=O)c1c(N)sc2c1CCC2
InChIKeyBOJXCJDYZJSPMZ-UHFFFAOYSA-N
PubChem CID264105
ChEMBLCHEMBL341097
EC No.674-837-0
DTXSIDDTXSID80294965

Chemische & physikalische Eigenschaften

XLogP2,7
Polarare Oberfläche (TPSA)80,6
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen3
Schwere Atome14
Formalladung0
Komplexität234
Schmelzpunkt90-94 °C
Siedepunkt386.8±42.0 °C(Predicted)
Dichte1.2079 (rough estimate)
Brechungsindex1.6800 (estimate)
Lagerbedingungen2-8°C(protect from light)
pKa (Säurekonstante)0.53±0.20(Predicted)
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
InChIKeyBOJXCJDYZJSPMZ-UHFFFAOYSA-N
SMILESC12CCCC=1C(C(OCC)=O)=C(N)S2
CAS Datenbank4815-29-6(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Zollcode29349990
R-Sätze (R)20/22-36/37/38
GefahrensymboleXn,Xi
Sicherheitshinweise (S)22-36/37/39-26
GefahrenklasseIRRITANT