HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3845746Erstellt: 2. November 2026
3-[1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid
https://huagongshe.com/de/chemical/3845746
Identifikatoren & physikalische Daten
| CAS No. | 790270-67-6 |
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| Summenformel | C16H21N3O5S |
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| Durchschnittliche Molmasse | 367,4 g/mol |
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| Monoisotopische Masse | 367,12019195 g/mol |
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| SMILES | CCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 |
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| InChIKey | RZPZGHAHMZPQCP-UHFFFAOYSA-N |
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| PubChem CID | 3845746 |
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| ChEMBL | CHEMBL1871336 |
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| EC No. | 991-629-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 110 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 25 |
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| Formalladung | 0 |
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| Komplexität | 573 |
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| Löslichkeit | >55.1 [ug/mL] (The mean of the results at pH 7.4) |
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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-[1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-2-yl]propanoic acid](/img/chemical/3845746.png)