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

CAS: 29710-98-3 Cat. No.: T340179 Peso molecular: 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

Sinónimos

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768173
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768173
• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-]
• WGK Alemania: 3
• PubChem CID: 16212397
• Peso molecular: 663.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: light & moisture sensitive
• Punto de fusión (°C): 106-107° C (lit.)
• Peso molecular: 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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