Hexamethonium hydroxide solution - ca. 25% in Water , CAS No.556-81-0

CAS: 556-81-0 Cat. No.: H462921 Molecular Weight: 236.39 EC Number: 611-300-1

GRADE & PURITY ca. 25% in Water

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 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

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

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.

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)CCCCCC[N+](C)(C)C.[OH-].[OH-]
• IUPAC Name: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium;dihydroxide
• InChIKey: GYLUMIIRFKDCKI-UHFFFAOYSA-L
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive；Heat sensitive
• Molecular Weight: 236.390 g/mol
• 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

XLogP3