5-Methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile CAS 51802-61-0

Purity 97%+In StockPharmaceutical Standards
CAS No.51802-61-0
Molecular FormulaC14H12N4
Molecular Weight236.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile CAS 51802-61-0 chemical structure

Description

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, 5-Methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 236.27 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

5-Methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile (CAS 51802-61-0), molecular formula C14H12N4 and molecular weight 236.27 g/mol, is a CATO reference standard with documented purity and traceability.

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 FormulaC14H12N4
Molecular Weight236.27 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1971
Nitrogen Atoms4

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