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HCID 74833Erstellt: 26. Oktober 2026

N-[[4-(Aminosulfonyl)phenyl]methyl]acetamid

N-(4-sulfamoylbenzyl)acetamide · p-Acetaminomethylbenzenesulfonamide · 4-(Acetamidomethyl)benzenesulfamide · p-Acetylaminomethylbenzenesulfonamide · N-[(4-sulfamoylphenyl)methyl]acetamide · 4-(Acetamidomethyl)-benzenesulfonamide · N-[(4-sulfamoylphenyl)methyl]ethanamide · 4-(Acetylaminomethyl)benzenesulfonamide

https://huagongshe.com/de/chemical/74833

Molekülstruktur von N-[[4-(Aminosulfonyl)phenyl]methyl]acetamid

Identifikatoren & physikalische Daten

CAS No.2015-14-7
SummenformelC9H12N2O3S
Durchschnittliche Molmasse228,27 g/mol
Monoisotopische Masse228,05686324 g/mol
SMILESCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIKeyAHQONKCJXWTTOW-UHFFFAOYSA-N
PubChem CID74833
ChEMBLCHEMBL72962
EC No.217-942-5
DTXSIDDTXSID50173975
Lokaler NameN-[[4-(Aminosulfonyl)phenyl]methyl]acetamid

Chemische & physikalische Eigenschaften

XLogP-0,4
Polarare Oberfläche (TPSA)97,6
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen3
Schwere Atome15
Formalladung0
Komplexität313
Schmelzpunkt177 °C
Dichte1.314±0.06 g/cm3(Predicted)
pKa (Säurekonstante)10.11±0.10(Predicted)
Aggregatzustandsolid
InChI1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyAHQONKCJXWTTOW-UHFFFAOYSA-N
SMILESO=S(C(C=C1)=CC=C1CNC(C)=O)(N)=O

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Wassergefährdungsklasse (WGK)WGK 3
Lagerklasse11 - Combustible Solids