Atomfair 3-(3-Aminopropyl)-1-methyl-1H-imidazol-3-ium bromide [‘NA’] C7H14BrN3 CAS 914770-45-9

Description

3-(3-Aminopropyl)-1-methyl-1H-imidazol-3-ium bromide (CAS No. 914770-45-9) is a high-purity ionic liquid compound with the molecular formula C₇H₁₄BrN₃. This quaternary ammonium salt features a positively charged imidazolium core functionalized with a 3-aminopropyl side chain and a methyl group, paired with a bromide counterion. Its unique structure combines the properties of imidazolium-based ionic liquids with a reactive primary amine group, making it valuable for advanced synthetic and catalytic applications.

This compound is supplied as a crystalline solid with >95% purity (HPLC) and is rigorously characterized by ¹H/¹³C NMR, mass spectrometry, and elemental analysis. It exhibits excellent solubility in polar organic solvents (DMSO, methanol, acetonitrile) and limited solubility in water. Special packaging options include amber glass vials under inert gas for air-sensitive applications.

Key applications include: organocatalysis, polymer modification, CO₂ capture materials, and as a building block for functionalized ionic liquids. Store at 2-8°C in a dry environment. Technical data sheets and certificates of analysis are available upon request.

Properties

• CAS Number: 914770-45-9
• Complexity: 94.9
• IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)propan-1-amine;bromide
• InChI: InChI=1S/C7H14N3.BrH/c1-9-5-6-10(7-9)4-2-3-8;/h5-7H,2-4,8H2,1H3;1H/q+1;/p-1
• InChI Key: IYLGURBQKWFKBE-UHFFFAOYSA-M
• Exact Mass: 219.03711
• Molecular Formula: C7H14BrN3
• Molecular Weight: 220.11
• SMILES: C[N+]1=CN(C=C1)CCCN.[Br-]
• Topological: 34.8
• Monoisotopic Mass: 219.03711
• Synonyms: 3-(3-Aminopropyl)-1-methyl-1H-imidazol-3-ium bromide, 914770-45-9, SCHEMBL530786, SCHEMBL530787, 1-(3-aminopropyl)-3-methylimidazolium bromide, G86082, 1-(3-Aminopropyl)-3-methyl-1H-imidazol-3-ium bromide

Application

This functionalized imidazolium salt serves as a versatile precursor for designing task-specific ionic liquids in green chemistry applications. The reactive amine group enables covalent attachment to surfaces or polymers for creating stationary phases in chromatography. Researchers utilize it as a Brønsted base catalyst in organic transformations and as a ligand precursor for transition metal complexes. Its dual ionic/amine functionality makes it particularly valuable for developing CO₂-absorbing materials in carbon capture technologies.

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