HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3694700Erstellt: 3. November 2026
3-[5-(dimethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]propanoic acid
1H-Benzimidazole-2-propanoic acid, 5-[(dimethylamino)sulfonyl]-1-ethyl- · 3-[5-(dimethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]propanoic acid · 3-(5-(N,N-Dimethylsulfamoyl)-1-ethyl-1H-benzo[d]imidazol-2-yl)propanoic acid
https://huagongshe.com/de/chemical/3694700
Identifikatoren & physikalische Daten
| CAS No. | 730951-13-0 |
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| Summenformel | C14H19N3O4S |
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| Durchschnittliche Molmasse | 325,39 g/mol |
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| Monoisotopische Masse | 325,10962727 g/mol |
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| SMILES | CCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N(C)C)ccc21 |
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| InChIKey | WTLSVINLKZXZDI-UHFFFAOYSA-N |
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| PubChem CID | 3694700 |
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| ChEMBL | CHEMBL1361240 |
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| ChEBI | CHEBI:114895 |
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| EC No. | 138-919-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 101 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 503 |
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| Siedepunkt | 570.0±56.0 °C(Predicted) |
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| Dichte | 1.35±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.92±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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![Molekülstruktur von 3-[5-(dimethylsulfamoyl)-1-ethyl-1H-1,3-benzodiazol-2-yl]propanoic acid](/img/chemical/3694700.png)