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Tetra-n-octylammonium Iodide - >98.0%(T), high purity , CAS No.16829-91-7
Basic Description
Synonyms
T1155 | A882178 | tetraoctylazanium;iodide | Tetraoctylazanium Iodide | CS-0152282 | DTXSID90457827 | T71903 | 1-Octanaminium, N,N,N-trioctyl-, iodide (1:1) | SCHEMBL310445 | tetraoctylammonium iodide | (2E)-3-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACRYLICACID |
Specifications & Purity
≥98%(T)
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
488197251
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488197251
IUPAC Name
tetraoctylazanium;iodide
INCHI
InChI=1S/C32H68N.HI/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1
InChIKey
KGPZZJZTFHCXNK-UHFFFAOYSA-M
Smiles
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]
Isomeric SMILES
CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]
PubChem CID
11180877
Molecular Weight
593.81
Reaxy-Rn
4168851
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
128.0 - 132.0 °C
Molecular Weight
593.800 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
28
Exact Mass
593.44 Da
Monoisotopic Mass
593.44 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
281.000
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
Citations of This Product
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1 Citations
F2310575