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

CAS: 2390-68-3 Cat. No.: D399218 Formula: C₂₂H₄₈BrN Molecular Weight: 406.54 Beilstein Registry Number: 6492993 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504752789

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752789

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

3

RTECS

Xi

Molecular Weight

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
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol
• Sensitivity: Moisture sensitive
• Melt Point(°C): 149-151 °C
• Molecular Weight: 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