tert-Butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate CAS 885698-82-8

Purity 97%+In StockPharmaceutical Standards
CAS No.885698-82-8
Molecular FormulaC13H23N3O2
Molecular Weight253.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate CAS 885698-82-8 chemical structure

Description

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.

tert-Butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate (CAS 885698-82-8), molecular formula C13H23N3O2 and molecular weight 253.34 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C13H23N3O2, tert-Butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 253.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC13H23N3O2
Molecular Weight253.34 g/mol
AppearanceOff-white to pale yellow crystalline powder
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
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3

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