Hexamethonium chloride

Base Information

• Chemical Name: Hexamethonium chloride
• CAS No.: 60-25-3
• Deprecated CAS: 4277-80-9
• Molecular Formula: C12H30 N2 . 2 Cl
• Molecular Weight: 273.29
• Hs Code.: 2923900090
• European Community (EC) Number: 200-465-1
• UNII: TIV4Q933FU
• DSSTox Substance ID: DTXSID3044700
• Wikidata: Q27289985
• NCI Thesaurus Code: C77366
• ChEMBL ID: CHEMBL105608
• Mol file: 60-25-3.mol

Synonyms:Bitartrate, Hexamethonium;Bromide, Hexamethonium;Chloride, Hexamethonium;Depressin;Dibromide Dihydrate, Hexamethonium;Dibromide, Hexamethonium;Dichloride Dihydrate, Hexamethonium;Dihydrate, Hexamethonium Dibromide;Dihydrate, Hexamethonium Dichloride;Dihydroxide, Hexamethonium;Diiodide, Hexamethonium;Dimethylsulfate, Hexamethonium;Diperchlorate, Hexamethonium;Hexamethonium;Hexamethonium Bitartrate;Hexamethonium Bromide;Hexamethonium Chloride;Hexamethonium Dibromide;Hexamethonium Dibromide Dihydrate;Hexamethonium Dichloride Dihydrate;Hexamethonium Dihydroxide;Hexamethonium Diiodide;Hexamethonium Dimethylsulfate;Hexamethonium Diperchlorate;Hexamethonium Iodide;Hexamethonium Monotartrate;Hexonium;Iodide, Hexamethonium;Monotartrate, Hexamethonium

Chemical Property of Hexamethonium chloride

Chemical Property:

• Melting Point: 292°C(dec.)(lit.)
• Refractive Index: 1.6400 (estimate)
• Boiling Point: 423.36°C (rough estimate)
• PSA: 0.00000
• Density: 1.0558 (rough estimate)
• LogP: -4.03280
• Solubility.: H2O: soluble
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 272.1786044
• Heavy Atom Count: 16
• Complexity: 121

Purity/Quality:

98%, ^*data from raw suppliers

Hexamethonium chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.[Cl-].[Cl-]
• Uses: Hexamethonium Chloride is a ganglionic nicotinic receptor blocker. Hexamethonium chloride has been used to block the responses of nicotinic receptors towards it agonists. It has also been used to study the mechanosensitivity of viscerofugal neurons. Medicine (antihypertensive).

Technology Process of Hexamethonium chloride

There total 2 articles about Hexamethonium chloride 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:

1,6-dichlorohexane (2163-00-0) + trimethylamine (75-50-3) → hexamethonium dichloride (60-25-3)

Guidance literature:

In methanol; ethanol; for 24h; Heating;

DOI:10.1002/(SICI)1521-3765(19990401)5:4<1284::AID-CHEM1284>3.0.CO;2-6

Reference yield:

hexamethonium diiodochloride → hexamethonium dichloride (60-25-3)

Guidance literature:

at 120 ℃; for 48h; Reduced pressure;

DOI:10.1039/c1ce05050h

Reference yield:

sodium molybdate dihydrate (7631-95-0) + hexamethonium dichloride (60-25-3) → {(CH3)3N(CH2)6N(CH3)3}2{γ-octamolybdate}

Guidance literature:

With HCl; In water; aq. soln. of molybdate and (Me3N(CH2)6NMe3)Cl2 treated with HCl, crystn.at pH=6;

DOI:10.1039/DT9910002007

upstream raw materials:

1,6-dichlorohexane

trimethylamine

Downstream raw materials:

C₁₂H₃₀N₂⁽²⁺⁾*C₁₀H₂O₈^(4-)

C₁₂H₃₀N₂⁽²⁺⁾*C₈H₄O₄^(2-)

C₁₆H₁₀O₄^(2-)*C₁₂H₃₀N₂⁽²⁺⁾

C₁₂H₃₀N₂⁽²⁺⁾*C₈H₄O₄^(2-)

Refernces

• 1、 Hossain, M. Alamgir,Schneider, Hans-Joerg. "Flexibility, association constants, and salt effects in organic ion pairs: How single bonds affect molecular recognition". . p. 1284 - 1290. Retrieved 2007/10/03.