Morpholinium nonafluorobutanesulphonate

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CAS Number

503155-89-3

MDL Number

MFCD03094228

Purity

=95%

Smiles

[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C1COCC[NH2+]1

Chemical Information

N-Morpholinium nonafluorobutanesulfonate

See also: Morpholinium perfluorobutanesulfonate (annotation moved to).

CAS Number	503155-89-3
PubChem CID	2778292
IUPAC Name	morpholin-4-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Molecular Formula	C8H10F9NO4S
Molecular Weight	387.22
Topological Polar Surface Area	91.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	409

SMILES

C1COCC[NH2+]1.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

InChI

InChI=1S/C4HF9O3S.C4H9NO/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-3-6-4-2-5-1/h(H,14,15,16);5H,1-4H2

InChIKey

JEKZMCMBPAIVEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 503155-89-3

CID: 2778292

Formula: C8H10F9NO4S

MW: 387.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.22
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Exact Mass	387.01868243
Monoisotopic Mass	387.01868243
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	409
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
PC1306-01	Trimethylsilyl nonafluorobutanesulphonate
PC2589-01	Lithium nonafluorobutanesulphonate
PC1001006	Morpholinium, 4- (4,6-dimethoxy-1,3,5-triazin-2-yl) -4-methyl-, hexafluorophosphate (1-) (1:1)
PC1008732-01	Tetrabutylammonium Nonafluorobutanesulfonate
OR317274-01	4-[ (2-Bromo-4,5-dimethoxyphenyl) methyl]-4-[2-[2- (6,6-dimethylbicyclo[3.1.1]hept-2-yl) ethoxy]ethyl]-Morpholinium bromide (1:1)
PC106659	1H,1H-Perfluorohexyl nonafluorobutanesulfonate
PC99651	(11bS) -2,6-Bis[bis[3,5-bis (trifluoromethyl) phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium] Bromide
PC106631	1H,1H,7H-Perfluoroheptyl nonafluorobutanesulfonate
PC106856	2,2,3,3-Tetrafluoropropyl nonafluorobutanesulfonate
PC106607	1H,1H,2H,2H-Perfluorohexyl nonafluorobutanesulfonate

Catalog	Name
sc-358596A	Zinc nonafluorobutanesulphonate
KAA02489-01	Morpholinium chloride
sc-328918A	Morpholinium hexafluorophosphate
sc-286433	N-Morpholinium trifluoromethanesulfonate
RG-E141135-01	4-[Chloro (dimethylamino) methylene]morpholinium hexafluorophosphate (V)
MBS6088599-01	GYY 4137 (4-Methoxyphenyl(morpholino)phosphinodithioate morpholinium salt)
282772-01	N-Methyl-N- (3-sulfopropyl) morpholinium, inner salt
MBS653472-01	N-Methyl-N-(3-sulfopropyl)morpholinium, Inner Salt (NDSB223)
M3540-90	N-Methyl-N- (3-sulfopropyl) morpholinium, Inner Salt (NDSB223)
TRC-D461245-100G	4-(4,6-Dimethoxy-s-triazin-2-yl)-4-methyl-morpholinium Chloride