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

CAS: 556-81-0 Cat. No.: H462921 Peso molecular: 236.39 Número EC: 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

Sinónimos

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 |

Especificaciones y pureza

ca. 25% in Water

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.[OH-].[OH-]
• Peso molecular: 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
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive；Heat sensitive
• Peso molecular: 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