Pentamethonium iodide

Base Information

• Chemical Name: Pentamethonium iodide
• CAS No.: 5282-80-4
• Molecular Formula: C11H28N2+2
• Molecular Weight: 442.166
• European Community (EC) Number: 226-111-6
• UNII: RZ5K7X3D10
• DSSTox Substance ID: DTXSID30970166
• Wikidata: Q27288355
• ChEMBL ID: CHEMBL2106983
• Mol file: 5282-80-4.mol

Synonyms:Pentamethonium iodide;5482-80-4;Pentamethylenebis(trimethylammonium iodide);EINECS 226-111-6;NSC 148337;Pentamethonium iodide [BAN];UNII-RZ5K7X3D10;RZ5K7X3D10;5282-80-4;Pentamethonium iodide [INN:BAN];N,N'-Pentamethylenebis(trimethylammonium) di-iodide;NSC-148337;1,5-Pentanediaminium, N,N,N,N',N',N'-hexamethyl-, diiodide;N,N'-Pentamethylenebis(trimethylammonium) diiodide;AMMONIUM, PENTAMETHYLENEBIS(TRIMETHYL-, DIIODIDE;N1,N1,N1,N5,N5,N5-Hexamethylpentane-1,5-diaminium iodide;C11H28I2N2;C(CCCCN(C)(C)C)N(C)(C)C;C11-H28-N2.2I;Ammonium, pentamethylenebis[trimethyl-, diiodide;pentamethonium diiodide;SCHEMBL1981108;CHEMBL2106983;DTXSID30970166;C11H28N2.2I;AKOS024432145;PENTAMETHONIUM IODIDE [WHO-DD];LS-18826;Q27288355;1,5-PENTANEDIAMINIUM, N1,N1,N1,N5,N5,N5-HEXAMETHYL-, IODIDE (1:2);N~1~,N~1~,N~1~,N~5~,N~5~,N~5~-Hexamethylpentane-1,5-bis(aminium) diiodide

Chemical Property of Pentamethonium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 442.03419
• Heavy Atom Count: 15
• Complexity: 112

Purity/Quality:

99% ^*data from raw 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.[I-].[I-]

Technology Process of Pentamethonium iodide

There total 2 articles about Pentamethonium iodide 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:

1,5-diaminopentane (462-94-2) + methyl iodide (74-88-4) → hexa-N-methyl-N,N'-pentanediyl-di-ammonium; diiodide (5282-80-4)

Guidance literature:

With methanol; sodium hydroxide;

Reference yield:

1,5-diiodopentane (628-77-3) + trimethylamine (75-50-3) → hexa-N-methyl-N,N'-pentanediyl-di-ammonium; diiodide (5282-80-4)

Guidance literature:

Reference yield:

hexa-N-methyl-N,N'-pentanediyl-di-ammonium; diiodide (5282-80-4) → penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7) + N,N-dimethylpent-4-enylamine (1001-91-8) + trimethylamine (75-50-3)

Guidance literature:

bei der Destillation zerfaellt;

upstream raw materials:

1,5-diiodopentane

trimethylamine

1,5-diaminopentane

methyl iodide

Downstream raw materials:

penta-1,3-diene

N,N-dimethylpent-4-enylamine

trimethylamine