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Trimethylnonylammonium Bromide - >98.0%(T), high purity , CAS No.1943-11-9
Basic Description
Synonyms
Trimethylnonylammonium bromide | Trimethyl-nonyl-ammonium bromide | EINECS 217-733-9 | D92636 | DTXSID00883779 | SCHEMBL4382369 | 1-Nonanaminium, N,N,N-trimethyl-, bromide (1:1) | MFCD00041986 | HY-W127647 | 1-Nonanaminium, N,N,N-trimethyl-, bromide | n,n
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
Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504754857
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754857
IUPAC Name
trimethyl(nonyl)azanium;bromide
INCHI
InChI=1S/C12H28N.BrH/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKey
SSEGNMJSEROZIF-UHFFFAOYSA-M
Smiles
CCCCCCCCC[N+](C)(C)C.[Br-]
Isomeric SMILES
CCCCCCCCC[N+](C)(C)C.[Br-]
PubChem CID
74750
Molecular Weight
266.27
Beilstein
4(4)777
Reaxy-Rn
3702760
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water
Melt Point(°C)
223 °C
Molecular Weight
266.260 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
8
Exact Mass
265.141 Da
Monoisotopic Mass
265.141 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
102.000
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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L2125450