8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochloride

HCID 21983536CAS 54745-74-3

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Grundinformationen

Standard-SMILES: C1CC2CNCC1O2.Cl
InChIKey: XADOTNAXKKFKDY-UHFFFAOYSA-N
Summenformel: C6H12ClNO
Durchschnittliche Molmasse: 149,62 g/mol
Monoisotopische Masse: 149,0607417

Namen und Bezeichner

Bevorzugter Name: 8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochloride
IUPAC: 8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
Englischer Name: 8-OXA-3-AZABICYCLO[3.2.1]OCTANEHYDROCHLORIDE
Summenformel: C6H11NO.ClH
Molmasse: 149.62

Namen und Synonyme

8-Oxa-3-aza-bicyclo[3.2.1]octane hydrochloride8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochlorideRefChem:548347802-217-354745-74-38-OXA-3-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE8-oxa-3-azabicyclo[3,2,1]octane hydrochloride8-oxa-3-azabicyclo[3.2.1]octane;hydrochlorideMFCD179264568-OXA-3-AZABICYCLO[3.2.1]OCTANE HCL8-oxa-3-azabicyclo[3.2.1]octanehydrochlorideMFCD09800611

Weitere Namen anzeigen

1021838-Oxa-3-azabic8-Oxa-3-azabicycLo[3.2.1]octane hydrochL8-OXA-3-AZABICYCLO[3.2.1]8-Oxa-3-azabicyclooctaneHCl8-Oxa-3-azabicyclo[3.2.1]octane, HCl8-oxa-3-azabicyclo[3.2.1]octane HCl salt8-OXA-3-AZABICYCLO[3.2.1]OCTANEHYDROCHLO8-OXA-AZABICYCLO[3.2.1]OCTANEHYDROCHLORIDE

8-oxa-3-azabicyclo(3.2.1)octane hydrochloride8-Oxa-3-azabicyclo[3.2.1]octane, hydrochlorideSCHEMBL16513DTXSID90621162XADOTNAXKKFKDY-UHFFFAOYSA-NSBB056375AKOS005166896CS-W005626

Datenbank-Bezeichner

CAS: 54745-74-3
PubChem CID: 21983536
DTXSID: DTXSID90621162
EC Number: 802-217-3

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

Physikochemische Eigenschaften

Schmelzpunkt: 197 · 197-199 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
InChI: InChI=1/C6H11NO.ClH/c1-2-6-4-7-3-5(1)8-6;/h5-7H,1-4H2;1H/t5-,6+;
InChIKey: XADOTNAXKKFKDY-KNCHESJLNA-N
SMILES: [C@@]12([H])O[C@@]([H])(CC1)CNC2.Cl |&1:0,3,r|
CAS Datenbank: 54745 · 54745-74-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2934999090
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden8-Oxa-3-azabicyclo[3.2.1]octane hydrochloride is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.