5-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride

HCID 45074003

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Grundinformationen

CAS: 923591-51-9
Standard-SMILES: Brc1cccc2c1CCNC2.Cl
InChIKey: SBMVDLGSHBOIOK-UHFFFAOYSA-N
Summenformel: C9H11BrClN
Durchschnittliche Molmasse: 248,55 g/mol
Monoisotopische Masse: 246,97633913

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC: 5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Englischer Name: Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride
Summenformel: C9H11BrClN
Molmasse: 248.55

Namen und Synonyme

5-bromo-1,2,3,4-tetrahydroisoquinoline hydrochlorideRefChem:532651676-394-9923591-51-95-bromo-1,2,3,4-tetrahydro-isoquinoline hclMFCD058615505-Bromo-1,2,3,4-tetrahydro-isoquinoline hydrochloride5-bromo-1,2,3,4-tetrahydroisoquinoline hcl5-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride5-bromo-1,2,3,4-tetrahydroisoquinoline,hydrochlorideSCHEMBL1922572SCHEMBL30955066

Weitere Namen anzeigen

5-BroMo-1,2,3,4-tetrahdyroisoquinoline hydrochlorideIsoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride5-bromo-1,2,3,4-tetrahydro-Isoquinoline hydrochloride (1:1)Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)

DTXSID10662875SBMVDLGSHBOIOK-UHFFFAOYSA-NAKOS015958982CS-W022295SB204525-bromo-1,2,3,4-tetrahydroisoquinoliAS-19412DA-00790

Datenbank-Bezeichner

CAS: 923591-51-9
PubChem CID: 45074003
DTXSID: DTXSID10662875
EC Number: 676-394-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder
Farbe: Light yellow
InChI: InChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2;1H
InChIKey: SBMVDLGSHBOIOK-UHFFFAOYSA-N
SMILES: BrC1C=CC=C2CNCCC=12.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.