Decamethonium Iodide - ≥98% , CAS No.1420-40-2

CAS: 1420-40-2 Cat. No.: D351320 Molecular Weight: 512.3 EC Number: 215-816-4 PubChem CID: 74014

GRADE & PURITY ≥98%

Synonyms

DECAMETHONIUM IODIDE [MART.] | Eulixine | Eulissin A | chromium(3+);triacetate | Q27290470 | Decamethonium diiodide | Decamethonium iodide | Decamethylenebis(trimethylammonium iodide) | Decane-1,10-bis(trimethylammonium Iodide) | DECAMETHONIUM IODIDE [WHO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DECAMETHONIUM IODIDE [MART.] | Eulixine | Eulissin A | chromium(3+);triacetate | Q27290470 | Decamethonium diiodide | Decamethonium iodide | Decamethylenebis(trimethylammonium iodide) | Decane-1, 10-bis(trimethylammonium Iodide) | DECAMETHONIUM IODIDE [WHO

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
• IUPAC Name: trimethyl-[10-(trimethylazaniumyl)decyl]azanium;diiodide
• InChIKey: ARMLJSXXXFXSLQ-UHFFFAOYSA-L
• INCHI: 1S/C16H38N2.2HI/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
• Isomeric SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
• PubChem CID: 74014
• UN Number: 3249
• Packing Group: III
• Molecular Weight: 512.3

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: Decamethonium compounds
• Alternative Parents: Tetraalkylammonium salts Organopnictogen compounds Organic iodide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Decamethonium - Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as decamethonium compounds. These are quaternary ammonium compounds containing a trimethyl-(10-trimethylammoniodecyl)ammonium moiety.
• 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: Soluble in water.
• Melt Point(°C): 250° C
• Molecular Weight: 512.299 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 512.112 Da
• Monoisotopic Mass: 512.112 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 164.000
• 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: 3

XLogP3