1,1'-(Decane-1,10-diyl)bis[4-aza-1-azoniabicyclo[2.2.2]octane] Dibromide - ≥95% , CAS No.94630-53-2

CAS: 94630-53-2 Cat. No.: D154673 Peso molecular: 524.43

GRADE & PURITY ≥95%

Synonyms

1,1'-(Decane-1,10-diyl)bis[4-aza-1-azoniabicyclo[2.2.2]octane]Dibromide | 1,1-(Decane-1,10-diyl)bis[4-aza-1-azoniabicyclo[2.2.2]octane]dibromide | T71487 | 1,1'-(Decane-1,10-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium) dibromide | DTXSID20659751 | 1-[10-(

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 1'-(Decane-1, 10-diyl)bis[4-aza-1-azoniabicyclo[2.2.2]octane]Dibromide | 1, 1-(Decane-1, 10-diyl)bis[4-aza-1-azoniabicyclo[2.2.2]octane]dibromide | T71487 | 1, 1'-(Decane-1, 10-diyl)bis(1, 4-diazabicyclo[2.2.2]octan-1-ium) dibromide | DTXSID20659751 | 1-[10-(

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C[N+]2(CCN1CC2)CCCCCCCCCC[N+]34CCN(CC3)CC4.[Br-].[Br-]
• IUPAC Name: 1-[10-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)decyl]-4-aza-1-azoniabicyclo[2.2.2]octane;dibromide
• InChIKey: YTGWJQLFKYWCCF-UHFFFAOYSA-L
• INCHI: 1S/C22H44N4.2BrH/c1(3-5-7-15-25-17-9-23(10-18-25)11-19-25)2-4-6-8-16-26-20-12-24(13-21-26)14-22-26;;/h1-22H2;2*1H/q+2;;/p-2
• Isómeros SMILES: C1C[N+]2(CCN1CC2)CCCCCCCCCC[N+]34CCN(CC3)CC4.[Br-].[Br-]
• Peso molecular: 524.43
• Reaxy-Rn: 15485496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15485496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Tetraalkylammonium salts Trialkylamines Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: N-alkylpiperazine - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Hygroscopic
• Peso molecular: 524.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 524.191 Da
• Monoisotopic Mass: 522.193 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 354.000
• 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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