Pentamethonium bromide

Base Information

• Chemical Name: Pentamethonium bromide
• CAS No.: 541-20-8
• Molecular Formula: C11H28 N2 . 2 Br
• Molecular Weight: 348.165
• Hs Code.: 2923900090
• European Community (EC) Number: 208-771-7
• UNII: 0UX03A6JJC
• Wikidata: Q27237276
• NCI Thesaurus Code: C80532
• ChEMBL ID: CHEMBL2107007
• Mol file: 541-20-8.mol

Synonyms:pentamethonium;pentamethonium bromide;pentamethonium dibromide;pentamethonium dichloride;pentamethonium diiodide;pentamethylenebis(trimethylammonium);Penthonium

Chemical Property of Pentamethonium bromide

Chemical Property:

• Melting Point: 301°C
• Refractive Index: 1.6800 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: -4.42290
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 348.05987
• Heavy Atom Count: 15
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

PENTAMETHONIUM BROMIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCCCC[N+](C)(C)C.[Br-].[Br-]

Technology Process of Pentamethonium bromide

There total 3 articles about Pentamethonium bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.5%

1,5-dibromo-pentane (111-24-0) + trimethylamine (75-50-3) → Pentamethonium bromide (541-20-8)

Guidance literature:

In ethanol; water; at 60 ℃; for 6h;

Reference yield: 74.0%

(5-bromopentyl)trimethylammonium bromide (15008-33-0) + trimethylamine (75-50-3) → Pentamethonium bromide (541-20-8)

Guidance literature:

With ammonia; In propan-1-ol; Heating;

DOI:10.1023/A:1015017407412

Reference yield:

1,5-dibromo-pentane (111-24-0) → Pentamethonium bromide (541-20-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / hexane / 6 h / 20 °C

2: 74 percent / NH₃ / propan-1-ol / Heating

With ammonia; In propan-1-ol; hexane;

DOI:10.1023/A:1015017407412

upstream raw materials:

1,5-dibromo-pentane

trimethylamine

(5-bromopentyl)trimethylammonium bromide

Downstream raw materials:

penta-1,3-diene

N,N-dimethylpent-4-enylamine

trimethylamine