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Hexamethonium hydroxide solution - ca. 25% in Water, high purity , CAS No.556-81-0
Basic Description
Synonyms
Hexamethonium Dihydroxide (ca. 25% in Water) | H1762 | Hexamethoniun | Q27288307 | 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexamethyl-, hydroxide (1:2) | trimethyl-[6-(trimethylazaniumyl)hexyl]azanium;dihydroxide | HEXAMETHONIUM HYDROXIDE | SCHEMBL178044 |
Specifications & Purity
ca. 25% in Water
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Quaternary ammonium salts
Intermediate Tree Nodes
Not available
Direct Parent
Hexamethonium compounds
Alternative Parents
Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hexamethonium - Tetraalkylammonium salt - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic hydroxide - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as hexamethonium compounds. These are organic compounds containing a N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
trimethyl-[6-(trimethylazaniumyl)hexyl]azanium;dihydroxide
INCHI
InChI=1S/C12H30N2.2H2O/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H2/q+2;;/p-2
InChIKey
GYLUMIIRFKDCKI-UHFFFAOYSA-L
Smiles
C[N+](C)(C)CCCCCC[N+](C)(C)C.[OH-].[OH-]
Isomeric SMILES
C[N+](C)(C)CCCCCC[N+](C)(C)C.[OH-].[OH-]
Molecular Weight
236.39
Reaxy-Rn
8169313
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8169313&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air sensitive；Heat sensitive
Molecular Weight
236.390 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
7
Exact Mass
236.246 Da
Monoisotopic Mass
236.246 Da
Topological Polar Surface Area
2.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
121.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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J2430419