1,4-Oxazepane hydrochloride

HCID 23090214

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 178312-62-4
Standard-SMILES: C1CNCCOC1.Cl
InChIKey: LJRCWNIWOVZLKS-UHFFFAOYSA-N
Summenformel: C5H12ClNO
Durchschnittliche Molmasse: 137,61 g/mol
Monoisotopische Masse: 137,06074168

Namen und Bezeichner

Bevorzugter Name: 1,4-Oxazepane hydrochloride
IUPAC: 1,4-oxazepane;hydrochloride
Englischer Name: Homomorpholine hydrochloride
Summenformel: C5H12ClNO
Molmasse: 137.61

Namen und Synonyme

1,4-oxazepane hydrochlorideRefChem:416990681-585-5178312-62-4homomorpholine hydrochloride[1,4]oxazepane hydrochlorideMFCD026830701,4-oxazepane;hydrochlorideHOMOMORPHOLINE HCL1,4-Oxazepine, hexahydro-, hydrochloride (1:1)1,4-Oxazepine, hexahydro-, hydrochlorideSCHEMBL58640

Weitere Namen anzeigen

1,4-oxazepane HClHexahydro-1,4-oxazepine HClHomomorpoline Hydrochloridehomomorpholine hydrychloride[1,4]Oxazepane hydrochclorideHomomorpholinehydrochloride,98%

CS-B1101F1905-64721,4-Oxazepan hydrochlorideALBB-0086421,4-oxazepane,hydrochloride1,4-oxazepanehydrochloridehomomorpholine-hydrochlorideArabinocytidine hydrochloride

Datenbank-Bezeichner

CAS: 178312-62-4
PubChem CID: 23090214
DTXSID: DTXSID70630494
EC Number: 681-585-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 47,3

Physikochemische Eigenschaften

Schmelzpunkt: 156 · 156-154°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
Wasserlöslichkeit: Slightly soluble in water.
InChI: 1S/C5H11NO.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H
InChIKey: LJRCWNIWOVZLKS-UHFFFAOYSA-N
SMILES: Cl.C1CNCCOC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H304 (11.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P260, P261, P264, P264+P265, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (88.9%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 2921
risk_code: 10-20/21-34-65-41-37/38
hazard_code: Xi
safety_code: 16-26-36/37/39-39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenHomomorpholine Hydrochloride is a useful synthetic intermediate. It is used to prepare homomorpholine oxazolidinone with antibacterial activities. It is also used to synthesize A2A adenosine receptor antagonists for the treatment of Parkinson's disease.