3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one CAS 100445-51-0

Purity 97%+In StockPharmaceutical Standards
CAS No.100445-51-0
Molecular FormulaC14H16FNO
Molecular Weight233.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one CAS 100445-51-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 233.28 g/mol gives 3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one (CAS 100445-51-0) is a high-purity analytical reference standard with the molecular formula C14H16FNO and a molecular weight of 233.28 g/mol.

The molecular framework of 3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one (C14H16FNO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

CATO manufactures 3-((4-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC14H16FNO
Molecular Weight233.28 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF-containing
Nitrogen Atoms1

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