HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 767889Erstellt: 27. Oktober 2026
3-(Piperidine-1-sulfonyl)benzoic acid
ST5432905 · EU-0001412 · Oprea1_803406 · AG-205/06468016 · BUTTPARK 148\07-59 · 3-piperidinosulfonylbenzoic acid · 3-(1-piperidylsulfonyl)benzoic acid · 3-(Piperidin-1-ylsulfonyl)benzoic acid
https://huagongshe.com/de/chemical/767889
Identifikatoren & physikalische Daten
| CAS No. | 7311-93-5 |
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| Summenformel | C12H15NO4S |
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| Durchschnittliche Molmasse | 269,32 g/mol |
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| Monoisotopische Masse | 269,07217896 g/mol |
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| SMILES | O=C(O)c1cccc(S(=O)(=O)N2CCCCC2)c1 |
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| InChIKey | QRFCJPBEPZZXEE-UHFFFAOYSA-N |
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| PubChem CID | 767889 |
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| ChEMBL | CHEMBL6133600 |
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| EC No. | 629-981-9 |
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| DTXSID | DTXSID90354281 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 83,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 395 |
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| Schmelzpunkt | 179-181 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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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 | 2933399990 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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