2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 3-amino-4-chlorobenzoate CAS 878129-47-6

Purity 97%+In StockPharmaceutical Standards
CAS No.878129-47-6
Molecular FormulaC15H18ClN3O3
Molecular Weight323.77 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 3-amino-4-chlorobenzoate CAS 878129-47-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 323.77 g/mol gives 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 3-amino-4-chlorobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 3-amino-4-chlorobenzoate (CAS 878129-47-6) is a high-purity analytical reference standard with the molecular formula C15H18ClN3O3 and a molecular weight of 323.77 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 3-amino-4-chlorobenzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 323.77 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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), 2-((2-Cyano-3-methylbutan-2-yl)amino)-2-oxoethyl 3-amino-4-chlorobenzoate 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 FormulaC15H18ClN3O3
Molecular Weight323.77 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms3

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