Didecyldimethylammonium Bromide - ≥98% , CAS No.2390-68-3

CAS: 2390-68-3 Cat. No.: D399218 Formule: C₂₂H₄₈BrN Poids moléculaire: 406.54 Beilstein Registry Number: 6492993 Numéro CE: 219-234-1

GRADE & PURITY ≥98%

Synonyms

UNII-72L098XL5Y | DIMETHYLDICAPRYLAMMONIUM BROMIDE | Q27266076 | BROMOSEPT | MFCD00012194 | NCGC00166066-01 | DDAB | N-Decyl-N,N-dimethyldecan-1-aminium bromide | HY-W127652 | D2363 | Didecyldimethylammonium bromide | DTXSID9046528 | FT-0624753 | 72L098XL

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Application

Didecyldimethylammonium bromide (DDAB) is commonly used as a surfactant and a phase transfer catalyst. It is also used in the preparation of hydrophobic ammonium-based ionic liquid.

Specifications

Synonymes

UNII-72L098XL5Y | DIMETHYLDICAPRYLAMMONIUM BROMIDE | Q27266076 | BROMOSEPT | MFCD00012194 | NCGC00166066-01 | DDAB | N-Decyl-N,N-dimethyldecan-1-aminium bromide | HY-W127652 | D2363 | Didecyldimethylammonium bromide | DTXSID9046528 | FT-0624753 | 72L098XL

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504752789
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752789
• Sourires canoniques: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
• IUPAC Name: didecyl(dimethyl)azanium;bromide
• InChIKey: UMGXUWVIJIQANV-UHFFFAOYSA-M
• INCHI: 1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
• Isomères SMILES: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
• WGK Allemagne: 3
• RTECS: Xi
• Poids moléculaire: 406.54
• Beilstein: 6492993
• Reaxy-Rn: 6492993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6492993&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol
• Sensibilité: Moisture sensitive
• Point de fusion (°C): 149-151 °C
• Poids moléculaire: 406.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 405.297 Da
• Monoisotopic Mass: 405.297 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 200.000
• 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