Tridodecylmethylammonium iodide - ≥97% , CAS No.29710-98-3

CAS: 29710-98-3 Cat. No.: T340179 Molecular Weight: 663.93 PubChem CID: 16212397

GRADE & PURITY ≥97%

Synonyms

AKOS030529061 | Methyltridodecylammonium iodide | Tridodecylmethylammonium iodide | 1-Dodecanaminium, N,N-didodecyl-N-methyl-, iodide (1:1) | Tridodecylmethylammonium iodide,97% | TRIDODECYL(METHYL)AZANIUM IODIDE | N,N-Didodecyl-N-methyldodecan-1-aminium

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS030529061 | Methyltridodecylammonium iodide | Tridodecylmethylammonium iodide | 1-Dodecanaminium, N, N-didodecyl-N-methyl-, iodide (1:1) | Tridodecylmethylammonium iodide, 97% | TRIDODECYL(METHYL)AZANIUM IODIDE | N, N-Didodecyl-N-methyldodecan-1-aminium

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504768173
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768173
• Canonical Smiles: CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-]
• IUPAC Name: tridodecyl(methyl)azanium;iodide
• InChIKey: JRLISGAUAJZAGL-UHFFFAOYSA-M
• INCHI: 1S/C37H78N.HI/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;/h5-37H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-]
• WGK Germany: 3
• PubChem CID: 16212397
• Molecular Weight: 663.93

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 iodide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic iodide 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

• Sensitivity: light & moisture sensitive
• Melt Point(°C): 106-107° C (lit.)
• Molecular Weight: 663.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 33
• Exact Mass: 663.518 Da
• Monoisotopic Mass: 663.518 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 357.000
• 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

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