6-Hydroxy-1,2,3,4-tetrahydroisoquinolin-1-one

HCID 15908314

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Grundinformationen

CAS: 22245-98-3
Standard-SMILES: O=C1NCCc2cc(O)ccc21
InChIKey: TYNQFYSVGOMKOS-UHFFFAOYSA-N
Summenformel: C9H9NO2
Durchschnittliche Molmasse: 163,17 g/mol
Monoisotopische Masse: 163,06332853

Namen und Bezeichner

Bevorzugter Name: 6-Hydroxy-1,2,3,4-tetrahydroisoquinolin-1-one
IUPAC: 6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one
Englischer Name: 6-HYDROXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE
Summenformel: C9H9NO2
Molmasse: 163.17

Namen und Synonyme

6-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-one3,4-dihydro-6-hydroxy-1(2h)-isoquinolinoneRefChem:543325840-164-822245-98-36-hydroxy-3,4-dihydroisoquinolin-1(2H)-one6-Hydroxy-3,4-dihydro-2H-isoquinolin-1-oneMFCD080592973,4-dihydro-6-hydroxyisoquinolin-1(2H)-one6-hydroxy-1-oxo-1,2,3,4-tetrahydroisoquinolineFS-34146-hydroxy- 1-oxo- 1,2,3,4-tetrahydroisoquinoline

Weitere Namen anzeigen

6-Hydroxy-2- Oxo-1,2,3,4-Tetrahydroquinolene6-HYDROXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE1(2H)-Isoquinolinone,3,4-dihydro-6-hydroxy-6-Hydroxy-3,4-dihydro-1-oxo-2(1H)-isoquinoline6-Hydroxy-3,4-dihydro-1(2H)-isoquinolinone ,97%

Z11981755586-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one;6-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one1(2H)-Isoquinolinone, 3,4-dihydro-6-hydroxy-3,4-dihydro-6FT-0692885SCHEMBL1417646DTXSID00579307TYNQFYSVGOMKOS-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 22245-98-3
PubChem CID: 15908314
DTXSID: DTXSID00579307
EC Number: 840-164-8
Nikkaji: J413.026J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

storage temp.: 2 · Storage temp. 2-8°C

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.