3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride

HCID 53401129CAS 904316-92-3

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Grundinformationen

Standard-SMILES: C1CC2COCC1N2.Cl
InChIKey: QCOHPFLNQAVPJE-UHFFFAOYSA-N
Summenformel: C6H12ClNO
Durchschnittliche Molmasse: 149,62 g/mol
Monoisotopische Masse: 149,06074168

Namen und Bezeichner

Bevorzugter Name: 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride
IUPAC: 3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride
Englischer Name: 3-Oxa-8-azabicyclo[3.2.1]octane, hydrochloride (1:1)
Summenformel: C6H12ClNO
Molmasse: 149.62

Namen und Synonyme

3-OXA-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE3-Oxa-8-azabicyclo(3.2.1)octane hydrochlorideRefChem:504590815-661-8904316-92-33-Oxa-8-aza-bicyclo[3.2.1]octane hydrochloride3-OXA-8-AZABICYCLO[3.2.1]OCTANE HCLMFCD184325623-oxa-8-azabicyclo[3.2.1]octane;hydrochloride3-Oxa-8-azabicyclo[3.2.1]octane, hydrochloride (1:1)SCHEMBL18386DTXSID70694814

Weitere Namen anzeigen

(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane hydrochloride3-Oxa-8-aza-bicyclo[3.2.1]octane3-OXA-8-AZABICYCLO8-oxa-3-aza-bicyclo3-Oxa-8-aza-bicyclo[3.2.1]octane HCl3-O×a-8-azabicyclo[3.2.1]octane hydrochloride

QCOHPFLNQAVPJE-UHFFFAOYSA-NEX-A1204AKOS015844255CS-W003900GS-4364PB11357SY0181763-Oxa-8-azabicyclo[3.2.1]octane, HCl

Datenbank-Bezeichner

CAS: 904316-92-3
PubChem CID: 53401129
DTXSID: DTXSID70694814
EC Number: 815-661-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 84,5

Physikochemische Eigenschaften

storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
Farbe: Off-white
InChI: InChI=1S/C6H11NO.ClH/c1-2-6-4-8-3-5(1)7-6;/h5-7H,1-4H2;1H
InChIKey: QCOHPFLNQAVPJE-UHFFFAOYSA-N
SMILES: C12COCC(CC1)N2.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.