Tetrabutylammonium formate

CAT: 0127-OR1071078-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071078-01Size:50 mg

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CAS Number

35733-58-5

MDL Number

MFCD09838756

Purity

95%

Smiles

CCCC[N+] (CCCC) (CCCC) CCCC.O=C[O-]

Chemical Information

Tetrabutylammonium formate

CAS Number	35733-58-5
PubChem CID	118866
IUPAC Name	tetrabutylazanium formate
Molecular Formula	C17H37NO2
Molecular Weight	287.5
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	20
Formal Charge	0
Complexity	124

SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C(=O)[O-]

InChI

InChI=1S/C16H36N.CH2O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;1H,(H,2,3)/q+1;/p-1

InChIKey

SNMZANHSFVMKKA-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 35733-58-5

CID: 118866

Formula: C17H37NO2

MW: 287.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	287.282429423
Monoisotopic Mass	287.282429423
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	124
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OR72442	Tetrabutylammonium Perrhenate
PC1008732-01	Tetrabutylammonium Nonafluorobutanesulfonate
OR80445-01	Tetrabutylammonium periodate
OR1015177-01	Tetrabutylammonium Hydrogencarbonate
OR1015176-01	Tetrabutylammonium Dibromoiodide
OR1015175	Tetrabutylammonium Decatungstate
BUP20713-01	Avibactam Tetrabutylammonium
OR72856-01	Tetrabutylammonium triiodide
OR72853-01	Tetrabutylammonium thiocyanate
OR72446	Tetrabutylammonium Perchlorate

Catalog	Name
HY-W579772	Tetrabutylammonium (nitrite)
HY-W127686-01	Tetrabutylammonium (difluorotriphenylstannate)
HY-W127684-01	Tetrabutylammonium (dibromoiodide)
HY-W111461-01	Tetrabutylammonium thiocyanate
HY-W109978-01	Tetrabutylammonium perrhenate
HY-W099792-01	Tetrabutylammonium (triiodide)
HY-W008635-01	Tetrabutylammonium (tetrahydroborate)
QCA41149-01	Tetrabutylammonium methanesulfonate
FT61579-01	Tetrabutylammonium nitrite
FT60389-01	Tetrabutylammonium difluorotriphenylsilicate