Dimethyldioctadecylammonium chloride(D1821) - ≥97% , CAS No.107-64-2

CAS: 107-64-2 Cat. No.: D113403 Molecular Weight: 586.5 Beilstein Registry Number: 3580288 EC Number: 203-508-2

GRADE & PURITY ≥97%

Synonyms

DIMETHYLDIOCTADECYLAMMONIUMCHLORIDE | Distearyl dimethyl ammonium chloride | NSC 61374 | E75806 | CA 3475 | Quaternium-5 | D1630 | SWANOL CA 3475 | DIMETHYLDIOCTADECYLAMMONIUM CHLORIDE | Dioctadecyl dimethyl ammonium chloride | Q5277336 | 1-Octadecanamini

Storage

Desiccated,Room temperature

Shipped In

Normal

Overview

A useful quaternary ammonium salt for proteomics research

Specifications

Synonyms

DIMETHYLDIOCTADECYLAMMONIUMCHLORIDE | Distearyl dimethyl ammonium chloride | NSC 61374 | E75806 | CA 3475 | Quaternium-5 | D1630 | SWANOL CA 3475 | DIMETHYLDIOCTADECYLAMMONIUM CHLORIDE | Dioctadecyl dimethyl ammonium chloride | Q5277336 | 1-Octadecanamini

Specifications & Purity

≥97%

Storage

Desiccated, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751490
• Canonical Smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
• IUPAC Name: dimethyl(dioctadecyl)azanium;chloride
• InChIKey: REZZEXDLIUJMMS-UHFFFAOYSA-M
• INCHI: 1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]
• WGK Germany: 2
• RTECS: BQ1923000
• UN Number: 3077
• Molecular Weight: 586.5
• Beilstein: 3580288
• Reaxy-Rn: 3580288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3580288&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 chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride 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

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Hygroscopic.
• Molecular Weight: 586.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 34
• Exact Mass: 585.598 Da
• Monoisotopic Mass: 585.598 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 390.000
• 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

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