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Tridodecylmethylammonium iodide - 97%, high purity , CAS No.29710-98-3
Basic Description
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 Temp
Protected from light,Room temperature
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504768173
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504768173
IUPAC Name
tridodecyl(methyl)azanium;iodide
INCHI
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
InChIKey
JRLISGAUAJZAGL-UHFFFAOYSA-M
Smiles
CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-]
Isomeric SMILES
CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[I-]
WGK Germany
3
PubChem CID
16212397
Molecular Weight
663.93
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light & moisture sensitive
Melt Point(°C)
106-107° C (lit.)
Molecular Weight
663.900 g/mol
XLogP3
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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H2224405