Tetrabutylammonium triiodide

CAT: 0127-OR72856-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR72856-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

13311-45-0

MDL Number

MFCD00059123

Purity

96%

Smiles

I[I-]I.CCCC[N+] (CCCC) (CCCC) CCCC

Chemical Information

N,N,N-Tributylbutan-1-aminium iodide (1/1)

CAS Number	13311-45-0
PubChem CID	23500181
IUPAC Name	tris(tetrabutylazanium);triiodide
Molecular Formula	C48H108I3N3
Molecular Weight	1108.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	36
Heavy Atom Count	54
Formal Charge	0
Complexity	116

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

CAS: 13311-45-0

CID: 23500181

Formula: C48H108I3N3

MW: 1108.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	1108.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	36
Exact Mass	1107.5677
Monoisotopic Mass	1107.5677
Topological Polar Surface Area	0 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	6
Compound Is Canonicalized	Yes

Catalog	Name
IN10578-01	Rhodium Triiodide
OR1023663-01	Phosphorus Triiodide
PC1008732-01	Tetrabutylammonium Nonafluorobutanesulfonate
OR80445-01	Tetrabutylammonium periodate
OR1015177-01	Tetrabutylammonium Hydrogencarbonate
OR1015176-01	Tetrabutylammonium Dibromoiodide
OR1015175	Tetrabutylammonium Decatungstate
OR72442	Tetrabutylammonium Perrhenate
OR1071078-01	Tetrabutylammonium formate
BUP20713-01	Avibactam Tetrabutylammonium

Catalog	Name
sc-229396	Tetrabutylammonium triiodide
HY-W099792-01	Tetrabutylammonium (triiodide)
13517-10-7	Boron triiodide
sc-239494	Cesium triiodide
V00585	Vanadium triiodide
sc-236390	Phosphorus triiodide
R03010	Ruthenium Triiodide
P17380	Phosphorus triiodide 97%
B17625	Boron triiodide 95%
A34680	Antimony triiodide 99%