6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

HCID 2920335CAS 57196-62-0

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Grundinformationen

Standard-SMILES: COc1ccc2c(c1)CCNC2.Cl
InChIKey: QIUIKPQXMJJOQT-UHFFFAOYSA-N
Summenformel: C10H14ClNO
Durchschnittliche Molmasse: 199,68 g/mol
Monoisotopische Masse: 199,07639175

Namen und Bezeichner

Bevorzugter Name: 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC: 6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

Namen und Synonyme

6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideRefChem:543534676-564-257196-62-0MFCD01717328Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-, hydrochloride6-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDEF3111-01206-Methoxy-1,2,3,4-tetrahydro-isoquinoline HCl6-methoxy-1,2,3,4-tetrahydroisoquinoline HClSCHEMBL587493

Weitere Namen anzeigen

orb31437556-methoxy-1,2,3,4-tetraihydroisoquinoline hydrochlorideDTXSID50972647QIUIKPQXMJJOQT-UHFFFAOYSA-N6-Methoxy-1,2,3,4-tetrahydroisSMSSF-0535971CS-M3403TYD-03093

Datenbank-Bezeichner

CAS: 57196-62-0
PubChem CID: 2920335
DTXSID: DTXSID50972647
EC Number: 676-564-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 149

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.