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Tetrabutylammonium (triiodide)

CAT: 0804-HY-W099792-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W099792-01Size:1 g
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Description
Tetrabutylammonium triiodideIt is an organic compound and belongs to the category of quaternary ammonium salts. It is a strong oxidizing agent and iodinating reagent, often used in organic chemical reactions, especially the conversion of alkenes and alkynes to the corresponding diiodide or tetraiodide compounds.Tetrabutylammonium triiodideThere are various applications in synthetic organic chemistry, especially in the synthesis of natural products, pharmaceuticals and specialty chemicals.
CAS Number
13311-45-0
UNSPSC
12352200
Hazard Statement
H315, H319
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CCCC[N+](CCCC)(CCCC)CCCC.I[I-]I
Molecular Formula
C16H36I3N
Molecular Weight
623.18
Precautions
H315, H319
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

N,N,N-Tributylbutan-1-aminium iodide (1/1)
CAS Number13311-45-0
PubChem CID23500181
IUPAC Nametris(tetrabutylazanium);triiodide
Molecular FormulaC48H108I3N3
Molecular Weight1108.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count36
Heavy Atom Count54
Formal Charge0
Complexity116
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[I-].[I-].[I-]
InChI
InChI=1S/3C16H36N.3HI/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h3*5-16H2,1-4H3;3*1H/q3*+1;;;/p-3
InChIKey
MZYZRSVLEXUIRP-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of N,N,N-Tributylbutan-1-aminium iodide (1/1)
CAS: 13311-45-0
CID: 23500181
Formula: C48H108I3N3
MW: 1108.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1108.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count36
Exact Mass1107.5677
Monoisotopic Mass1107.5677
Topological Polar Surface Area0 Ų
Heavy Atom Count54
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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