HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 89995Erstellt: 3. November 2026
1-Butyl-4-piperidon
1-BUTYLPIPERIDIN-4-ONE · 1-Butyl-4-piperidone · N-BUTYL-4-PIPERIDONE · N-Butyl-4-piperidinone · 1-n-Butyl-4-piperidone · 1-Butyl-4-piperidinone · 4-Piperidinone, 1-butyl- · 1-BUTYLTETRAHYDRO-4(1H)-PYRIDINONE
https://huagongshe.com/de/chemical/89995
Identifikatoren & physikalische Daten
| CAS No. | 23081-86-9 |
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| Summenformel | C9H17NO |
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| Durchschnittliche Molmasse | 155,24 g/mol |
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| Monoisotopische Masse | 155,13101417 g/mol |
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| SMILES | CCCCN1CCC(=O)CC1 |
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| InChIKey | OCNWYKFGWLGNHZ-UHFFFAOYSA-N |
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| PubChem CID | 89995 |
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| EC No. | 245-420-7 |
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| DTXSID | DTXSID50177655 |
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| Lokaler Name | 1-Butyl-4-piperidon |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 20,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 124 |
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| Siedepunkt | 50°/0.1mm |
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| Dichte | 0.943±0.06 g/cm3(Predicted) |
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| Brechungsindex | 1.4595 (589.3 nm 25℃) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 8.10±0.20(Predicted) |
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| InChI | InChI=1S/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3 |
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| InChIKey | OCNWYKFGWLGNHZ-UHFFFAOYSA-N |
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| SMILES | N1(CCCC)CCC(=O)CC1 |
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| CAS Datenbank | 23081-86-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 | Skin Corr. 1B (100%) |
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| Zollcode | 2933399990 |
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| Gefahrenklasse | IRRITANT |
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