Dimethyldioctylammonium Bromide - ≥97%(T) , CAS No.3026-69-5

CAS: 3026-69-5 Cat. No.: D154853 分子式: C₁₈H₄₀BrN 分子量: 350.43 EC番号: 221-189-8

GRADE & PURITY ≥97%(T)

Synonyms

dimethyl(dioctyl)azanium;bromide | D90111 | AKOS015833035 | DTXSID10952627 | Dimethyldioctylammonium bromide | N,N-Dimethyl-N,N-dioctylammonium bromide | J-017847 | AS-69028 | EINECS 221-189-8 | Dimethyldioctylammonium Bromide; Dioctyldimethylammonium Bro

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

dimethyl(dioctyl)azanium;bromide | D90111 | AKOS015833035 | DTXSID10952627 | Dimethyldioctylammonium bromide | N,N-Dimethyl-N,N-dioctylammonium bromide | J-017847 | AS-69028 | EINECS 221-189-8 | Dimethyldioctylammonium Bromide; Dioctyldimethylammonium Bro

仕様と純度

≥97%(T)

保管条件

Room temperature

入荷

Normal

純度

≥97%(T)

名前と識別子

パブケム・シド

504755057

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504755057

カノニカル・スマイル

CCCCCCCC[N+](C)(C)CCCCCCCC.[Br-]

IUPAC Name

dimethyl(dioctyl)azanium;bromide

InChIKey

APTVNWGLSRAOFJ-UHFFFAOYSA-M

INCHI

1S/C18H40N.BrH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1

異性体SMILES

CCCCCCCC[N+](C)(C)CCCCCCCC.[Br-]

分子量

350.43

Reaxy-Rn

5647963

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5647963&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: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

化学的性質と物理的性質

• 感度: Hygroscopic
• 分子量: 350.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 349.234 Da
• Monoisotopic Mass: 349.234 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 157.000
• 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: 2

XLogP3