3-(Phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane, hydrochloride (1:2)

HCID 18540370

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Grundinformationen

CAS: 335620-97-8
Standard-SMILES: Cl.Cl.c1ccc(CN2CC3CNCC(C2)O3)cc1
InChIKey: WYJXAGJCXWTTAH-UHFFFAOYSA-N
Summenformel: C13H20Cl2N2O
Durchschnittliche Molmasse: 291,21 g/mol
Monoisotopische Masse: 290,0952687

Namen und Bezeichner

Bevorzugter Name: 3-(Phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane, hydrochloride (1:2)
IUPAC: 3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;dihydrochloride

Namen und Synonyme

335620-97-83-(phenylmethyl)-9-oxa-3,7-diazabicyclo(3.3.1)nonane, hydrochloride (1:2)3-(Phenylmethyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane, hydrochloride (1:2)RefChem:495836620-106-63-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;dihydrochlorideMFCD27956752SCHEMBL1619305WYJXAGJCXWTTAH-UHFFFAOYSA-NAKOS030242348SS-4990

Weitere Namen anzeigen

SY579479DB-304468CS-0368542EN300-19317120F7580453-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonanedihydrochloride3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydro-chloride

Datenbank-Bezeichner

CAS: 335620-97-8
PubChem CID: 18540370
EC Number: 620-106-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 24,5 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 216

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 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.