1-benzhydrylazetidin-3-ol Hydrochloride

HCID 2801726CAS 90604-02-7

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Grundinformationen

Standard-SMILES: Cl.OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LCHTWRWPHBRTNO-UHFFFAOYSA-N
Summenformel: C16H18ClNO
Durchschnittliche Molmasse: 275,77 g/mol
Monoisotopische Masse: 275,10769188

Namen und Bezeichner

Bevorzugter Name: 1-benzhydrylazetidin-3-ol Hydrochloride
IUPAC: 1-benzhydrylazetidin-3-ol;hydrochloride
Englischer Name: 1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride
Summenformel: C16H18ClNO
Molmasse: 275.78

Namen und Synonyme

90604-02-71-benzhydrylazetidin-3-ol HydrochlorideDTXSID60384318RefChem:227780DTXCID803353421-(Diphenylmethyl)-3-hydroxyazetidine hydrochlorideMFCD002094471-benzhydryl-3-azetidinol hydrochloride1-(diphenylmethyl)azetidin-3-ol hydrochloride3-Azetidinol, 1-(diphenylmethyl)-, hydrochloride1-benzhydrylazetidin-3-ol;hydrochloride1-(diphenylmethyl)-3-azetidinol hydrochloride

Weitere Namen anzeigen

1-(DiphenylMethyl)-3-hydroxyazetidine HClBaricitinib-008-HClBaricitinib Impurity 9 HCl1-BENZHYDRYLAZETAN-3-OL-HClBaricitinib Impurity 13 HClN-BENZHYDRYLAZETIDIN-3-OL HCL1-BENZHYDRYL AZETIDIN-3-OL HCL1-benzhydrylazetidin-1-ium-3-ol

N-Benzhydrylazetidin-3-ol hydrochloride1-Benzhydryl-azetidin-3-ol hydrochloride1-benzhydrylazetidin-3-ol hcl1-diphenylmethyl-3-hydroxy-azetidine hydrochlorideYT8KD6X4HKAzelnidipine Impurity 2 HClSCHEMBL7415831-Benzhydryl-3-azetidinol HCl

Datenbank-Bezeichner

CAS: 90604-02-7
PubChem CID: 2801726
DTXSID: DTXSID60384318
UNII: YT8KD6X4HK
EC Number: 675-289-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 19
Formalladung: 0
Komplexität: 232

Physikochemische Eigenschaften

Schmelzpunkt: 172 · 172-174°C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: White to Pale Yellow
CAS Datenbank: 90604 · 90604-02-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2934999090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37

Chemie und Industrie

Anwendungen

Verwenden1-(Diphenylmethyl)-3-Hydroxyazetidine Hydrochloride is a vital compound and can be used to synthesise 1-Benzhydrylazetidin-3-one and 1-benzhydrylazetidin-3-ol.