HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3161908Erstellt: 1. November 2026
3-(4-Sulfamoylphenyl)propanoic acid
ASISCHEM A98433 · TIMTEC-BB SBB011591 · 3-(4-sulfamoylphenyl)propanoate · 3-(4-SulfaMoylphenyl)propanoic acid · P-AMINOSULFONYLDIHYDROCINNAMIC ACID · 3-(4-Sulfamoyl-phenyl)-propionic acid · 4-(AMINOSULPHONYL)DIHYDROCINNAMIC ACID · 3-[4-(Sulphamoyl)phenyl]propanoic acid
https://huagongshe.com/de/chemical/3161908
Identifikatoren & physikalische Daten
| CAS No. | 90610-69-8 |
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| Summenformel | C9H11NO4S |
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| Durchschnittliche Molmasse | 229,26 g/mol |
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| Monoisotopische Masse | 229,04087901 g/mol |
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| SMILES | NS(=O)(=O)c1ccc(CCC(=O)O)cc1 |
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| InChIKey | JUEONDBIBADVGD-UHFFFAOYSA-N |
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| PubChem CID | 3161908 |
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| ChEMBL | CHEMBL451332 |
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| EC No. | 640-881-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 106 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 311 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Schmelzpunkt | 164-166 |
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| Siedepunkt | 459.0±47.0 °C(Predicted) |
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| Dichte | 1.412±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| pKa (Säurekonstante) | 4.52±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | Pale Beige |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (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. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Zollcode | 2935909099 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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