tert-Butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate CAS 198895-74-8

Purity 97%+In StockPharmaceutical Standards
CAS No.198895-74-8
Molecular FormulaC19H30N2O2
Molecular Weight318.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate CAS 198895-74-8 chemical structure

Description

The occurrence of tert-Butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

tert-Butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate (CAS 198895-74-8), molecular formula C19H30N2O2 and molecular weight 318.45 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of tert-Butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate (C19H30N2O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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), tert-Butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate 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 FormulaC19H30N2O2
Molecular Weight318.45 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2013
Nitrogen Atoms2

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