5-(3-(4-(4-Fluorophenyl)piperazin-1-yl)prop-1-yn-1-yl)pyrimidine CAS 865658-83-9

Purity 97%+In StockPharmaceutical Standards
CAS No.865658-83-9
Molecular FormulaC17H17FN4
Molecular Weight296.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(3-(4-(4-Fluorophenyl)piperazin-1-yl)prop-1-yn-1-yl)pyrimidine CAS 865658-83-9 chemical structure

Description

5-(3-(4-(4-Fluorophenyl)piperazin-1-yl)prop-1-yn-1-yl)pyrimidine (CAS 865658-83-9), molecular formula C17H17FN4 and molecular weight 296.34 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-(3-(4-(4-Fluorophenyl)piperazin-1-yl)prop-1-yn-1-yl)pyrimidine (C17H17FN4) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 296.34 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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), 5-(3-(4-(4-Fluorophenyl)piperazin-1-yl)prop-1-yn-1-yl)pyrimidine 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

Molecular FormulaC17H17FN4
Molecular Weight296.34 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms4

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