1-(2-Carboxyethyl)-3,3-dimethyl-3H-indol-1-ium iodide CAS 86653-18-1

Purity 97%+In StockPharmaceutical Standards
CAS No.86653-18-1
Molecular FormulaC13H16NO2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2-Carboxyethyl)-3,3-dimethyl-3H-indol-1-ium iodide CAS 86653-18-1 chemical structure

Description

The occurrence of 1-(2-Carboxyethyl)-3,3-dimethyl-3H-indol-1-ium iodide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(2-Carboxyethyl)-3,3-dimethyl-3H-indol-1-ium iodide (CAS 86653-18-1) is a high-purity analytical reference standard with the molecular formula C13H16NO2I and a molecular weight of 345.18 g/mol.

The molecular framework of 1-(2-Carboxyethyl)-3,3-dimethyl-3H-indol-1-ium iodide (C13H16NO2I) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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), 1-(2-Carboxyethyl)-3,3-dimethyl-3H-indol-1-ium iodide 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 FormulaC13H16NO2 I
Molecular Weight345.18 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1981
Halogen ContentI-containing
Nitrogen Atoms1

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