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

CAS: 556-81-0 Cat. No.: H462921 分子式: C₁₂H₃₂N₂O₂ 分子量: 236.39 EC番号: 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

同義語

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 |

仕様と純度

ca. 25% in Water

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 508813975
• カノニカル・スマイル: 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
• 異性体SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.[OH-].[OH-]
• 分子量: 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
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 感度: Air sensitive；Heat sensitive
• 分子量: 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