2-Benzyloctahydro-3aH-isoindole-3a-carboxylic acid CAS 885958-39-4

Purity 97%+In StockPharmaceutical Standards
CAS No.885958-39-4
Molecular FormulaC16H21NO2
Molecular Weight259.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Benzyloctahydro-3aH-isoindole-3a-carboxylic acid CAS 885958-39-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 259.34 g/mol gives 2-Benzyloctahydro-3aH-isoindole-3a-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-Benzyloctahydro-3aH-isoindole-3a-carboxylic acid (CAS 885958-39-4) is a high-purity analytical reference standard with the molecular formula C16H21NO2 and a molecular weight of 259.34 g/mol.

2-Benzyloctahydro-3aH-isoindole-3a-carboxylic acid (C16H21NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. 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 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.

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 FormulaC16H21NO2
Molecular Weight259.34 g/mol
AppearanceOff-white to pale yellow crystalline powder
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
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms1

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