HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 57504649Erstellt: 30. Oktober 2026
Azetidin-3-ol;hydron;chloride
AZETIDIN-3-OL HYDROCHLORIDE · 3-AZETIDINOL HYDROCHLORIDE · 3-HYDROXYAZETIDINE HCL · Azetidin-3-ol hydrochloride, 3-Hydroxyazetane hydrochloride · AZETAN-2-ONE · BUTTPARK 75\04-67 · Azetidine-3-ol.Hcl · Baricitinib-009-HCl
https://huagongshe.com/de/chemical/57504649
Identifikatoren & physikalische Daten
| CAS No. | 18621-18-6 |
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| Summenformel | C3H8ClNO |
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| Durchschnittliche Molmasse | 109,55 g/mol |
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| Monoisotopische Masse | 109,0294416 g/mol |
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| SMILES | OC1CNC1.[Cl-].[H+] |
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| InChIKey | UQUPQEUNHVVNKW-UHFFFAOYSA-N |
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| PubChem CID | 57504649 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 32,3 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 33,9 |
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| Schmelzpunkt | 85-90 °C |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Water (Slightly)Soluble in water, DMSO, methanol. |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| Stabilität | Hygroscopic |
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| InChI | InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3/h3-5H,1-2H21H |
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| InChIKey | UQUPQEUNHVVNKW-UHFFFAOYSA-N |
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| SMILES | C1(O)CNC1.Cl |
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| CAS Datenbank | 18621-18-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN1759 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38-41-37/38-22 |
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| Gefahrensymbole | C,Xi,Xn |
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| hazard_note | Harmful/Corrosive |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Beschreibung
3-hydroxyazaecyclobutane hydrochloride is an azaecyclobutane compound that is an important intermediate in the synthesis of Brectinib, which is obtained through a multi-step reaction. Brectinib was approved by the European Union. The monotherapy or in combination with methotrexate for the treatment of adult patients with moderate to severe active rheumatoid arthritis with inadequate or intolerant relief from one or more antirheumatic drugs. It is also the first JAK inhibitor approved in the European Union for the treatment of rheumatoid arthritis.
