3-(Azepan-1-ylmethyl)-1H-indole-5-carbonitrile CAS 101831-76-9

Purity 97%+In StockPharmaceutical Standards
CAS No.101831-76-9
Molecular FormulaC16H19N3
Molecular Weight253.34 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Azepan-1-ylmethyl)-1H-indole-5-carbonitrile CAS 101831-76-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 253.34 g/mol gives 3-(Azepan-1-ylmethyl)-1H-indole-5-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(Azepan-1-ylmethyl)-1H-indole-5-carbonitrile (CAS 101831-76-9), molecular formula C16H19N3 and molecular weight 253.34 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, 3-(Azepan-1-ylmethyl)-1H-indole-5-carbonitrile is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 253.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC16H19N3
Molecular Weight253.34 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Nitrogen Atoms3

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