3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile CAS 53661-31-7

Description

Compared with other compounds in its class, the molecular weight of 174.20 g/mol gives 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (CAS 53661-31-7) is a high-purity analytical reference standard with the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol.

Structurally, 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (C10H10N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 174.20 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

As a certified reference material (CRM), 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

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