Dihexadecyldimethylammonium bromide - ≥97% , CAS No.70755-47-4

CAS: 70755-47-4 Cat. No.: D111776 Molecular Weight: 574.85 Beilstein Registry Number: 4058078 EC Number: 274-849-2

GRADE & PURITY ≥97%

Synonyms

dicetyldimethylammonium bromide | J51E2IK3KU | NCGC00014051 | Dicetyldimonium bromide | Dihexadecyldimethylammonium bromide, 97% | dihexadecyldimethylazanium bromide | Q27281211 | dihexadecyl(dimethyl)azanium;bromide | D90051 | VCA75547 | MZZXIXHKDJNBJQ-U

Storage

Room temperature

Shipped In

Normal

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

dicetyldimethylammonium bromide | J51E2IK3KU | NCGC00014051 | Dicetyldimonium bromide | Dihexadecyldimethylammonium bromide, 97% | dihexadecyldimethylazanium bromide | Q27281211 | dihexadecyl(dimethyl)azanium;bromide | D90051 | VCA75547 | MZZXIXHKDJNBJQ-U

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196308
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196308
• Canonical Smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]
• IUPAC Name: dihexadecyl(dimethyl)azanium;bromide
• InChIKey: VIXPKJNAOIWFMW-UHFFFAOYSA-M
• INCHI: 1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]
• WGK Germany: 3
• Molecular Weight: 574.85
• Beilstein: 4058078
• Reaxy-Rn: 4058078
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4058078&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: Organic bromide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Organic cation - 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

Chemical and Physical Properties

• Melt Point(°C): 159-162°C
• Molecular Weight: 574.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 30
• Exact Mass: 573.485 Da
• Monoisotopic Mass: 573.485 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 341.000
• 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

References

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