3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile CAS 56154-47-3

Purity 97%+In StockPharmaceutical Standards
CAS No.56154-47-3
Molecular FormulaC12H14N2O2
Molecular Weight218.25 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile CAS 56154-47-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 218.25 g/mol gives 3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (CAS 56154-47-3), molecular formula C12H14N2O2 and molecular weight 218.25 g/mol, is a CATO reference standard with documented purity and traceability.

3-Ethoxy-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (C12H14N2O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC12H14N2O2
Molecular Weight218.25 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1973
Nitrogen Atoms2

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