3-Hydroxyazetidine hydrochloride
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Grundinformationen
- CAS
18621-18-6- Standard-SMILES
Cl.OC1CNC1- InChIKey
UQUPQEUNHVVNKW-UHFFFAOYSA-N- Summenformel
- C3H8ClNO
- Durchschnittliche Molmasse
- 109,55 g/mol
- Monoisotopische Masse
- 109,02944156
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxyazetidine hydrochloride
- IUPAC
- azetidin-3-ol;hydrochloride
- Englischer Name
- 3-Hydroxyazetidine hydrochloride
- Summenformel
- C3H8ClNO
- Molmasse
- 109.55
Namen und Synonyme
3-Hydroxyazetidine hydrochloride18621-18-6DTXSID30374721RefChem:94255DTXCID10325751628-004-3Azetidin-3-ol Hydrochlorideazetidin-3-ol hcl3-Hydroxyazetidine HClazetidin-3-ol hydrochloride saltMFCD02683887azetidin-3-ol;hydrochloride
Weitere Namen anzeigen
Azetidin-3-ol hydrochloride, 3-Hydroxyazetane hydrochlorideAZETAN-2-ONEBUTTPARK 75\04-67Azetidine-3-ol.HclBaricitinib-009-HCl3-hydroxyazatidine HCl3-Hydroxyl-azetidine HCl
3-Azetidinol HydrochlorideAzetidin-3-ol (hydrochloride)azetidine-3-ol hydrochloride3-hydroxyazetidinium chlorideazetidin-3-ol, hydrochloride3-hydroxy-azetidinium chlorideazetidin-3-ol monohydrochloride3-hydroxy azetidine hydrochloride
Datenbank-Bezeichner
- CAS
18621-18-6- PubChem CID
- 2759290
- DTXSID
DTXSID30374721- EC Number
- 628-004-3
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 33,9
Physikochemische Eigenschaften
- Schmelzpunkt
- 85 · 85-90 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- Soluble in water, DMSO, methanol.
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3;/h3-5H,1-2H2;1H
- InChIKey
- UQUPQEUNHVVNKW-UHFFFAOYSA-N
- SMILES
- C1(O)CNC1.Cl
- CAS Datenbank
- 18621 · 18621-18-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.
Danger
H302 (84.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (84.6%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN1759
- hs_code
- 29339900
- risk_code
- 36/37/38-41-37/38-22
- hazard_code
- C,Xi,Xn
- hazard_note
- Harmful/Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Beschreibung3-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.
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