CAS 493-49-2 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one (HCID 610097)

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Basic information

CAS: 493-49-2
Standard SMILES: COc1cc2c(cc1OC)C(=O)NCC2
InChIKey: MQKFSXLBPPCAGR-UHFFFAOYSA-N
Molecular formula: C11H13NO3
Average molar mass: 207.229 g/mol
Monoisotopic mass: 207.08954328

Names & identifiers

Preferred name: 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
IUPAC: 6,7-Dimethoxy-3,4-dihydroisoquinolin-1(2H)-one
English name: 6,7-Dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
Molecular formula: C11H13NO3
Molecular weight: 207.23

Names & synonyms

CorydaldineAKOS 233-636,7-DIMETHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN6,7-Dimethoxy-3,4-dihydro-2H-isoquinolin-1-one3,4-Dihydro-6,7-dimethoxyisoquinolin-1(2H)-one3,4-Dihydro-6,7-dimethoxy-1(2H)-isoquinolinone6,7-DiMethoxy-3,4-dihydroisoquinolin-1(2H)-one1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-one6,7-DIMETHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN, 10 mM in DMSO

Database identifiers

CAS: 493-49-2
PubChem CID: 610097
DTXSID: DTXSID90346166
UNII: 4171CTO4KU
Nikkaji: J6.067D

Properties

Physicochemical properties

Melting point: 175 ° · 175°
Boiling point: 346.25 °C · 346.25°C (rough estimate)
Density: 1.1878 · 1.1878 (rough estimate)
refractive index: 1.51 · 1.5100 (estimate)
storage temp.: 2 · 2-8°C
pka: 14.23 · 14.23±0.20(Predicted)
FDA UNII: 4171 CTO4KU · 4171CTO4KU
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338