Tetrabutylammonium fluoride trihydrate

CAT: 0063-26809718-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0063-26809718-01Size:25 g

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CAS Number

87749-50-6

Chemical Information

Tetrabutylammonium Fluoride Trihydrate

CAS Number	87749-50-6
PubChem CID	11726816
IUPAC Name	tetrabutylazanium;fluoride;trihydrate
Molecular Formula	C16H42FNO3
Molecular Weight	315.51
Topological Polar Surface Area	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	21
Formal Charge	0
Complexity	116

SMILES

CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]

InChI

InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1

InChIKey

VEPTXBCIDSFGBF-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 87749-50-6

CID: 11726816

Formula: C16H42FNO3

MW: 315.51

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.51
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	315.31487236
Monoisotopic Mass	315.31487236
Topological Polar Surface Area	3 Å²
Heavy Atom Count	21
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	5
Compound Is Canonicalized	Yes

Catalog	Name
21527575	Aluminium fluoride trihydrate
21527575-100g	Aluminium fluoride trihydrate
51556018-25g	Tetrabutylammonium perchlorate
89999159	Tetrabutylammonium chloride
90005261-5g	Tetrabutylammonium benzoate
90018952	Tetrabutylammonium phosphate
90005261	Tetrabutylammonium benzoate
51556018	Tetrabutylammonium perchlorate
89999159-25g	Tetrabutylammonium chloride
32102353-100g	Tetrabutylammonium hexafluorophosphate

Catalog	Name
FT34811-01	Tetrabutylammonium fluoride trihydrate
JH298630	Tetrabutylammonium fluoride
467289-01	Tetrabutylammonium Fluoride Hydrate
GTR19244825-01	Tetrabutylammonium (fluoride) (in THF)
HY-W093286-01	Aluminum fluoride trihydrate
PC1009-01	Aluminium fluoride trihydrate
sc-257527	Ferric fluoride trihydrate
IN3499	Tetraethylammonium Fluoride Trihydrate