Methyltrioctylammonium triflate

CAT: 1552-IL-0118-HP-0500Size: 500 gDry Ice: NoHazardous: No

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CAT#:1552-IL-0118-HP-0500Size:500 g

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CAS Number

121107-18-4

Product Name Alternative

IoLiLyt 0118, 500 g

Purity

97%

Molecular Formula

C26H54F3NO3S

Molecular Weight

517.77

IUPAC Name

Methyltrioctylammonium triflate

Chemical Information

Methyltricaprylylammonium triflate

CAS Number	121107-18-4
PubChem CID	22678982
IUPAC Name	methyl(trioctyl)azanium;trifluoromethanesulfonate
Molecular Formula	C26H54F3NO3S
Molecular Weight	517.8
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	21
Heavy Atom Count	34
Formal Charge	0
Complexity	365

SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H54N.CHF3O3S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;2-1(3,4)8(5,6)7/h5-25H2,1-4H3;(H,5,6,7)/q+1;/p-1

InChIKey

WYNCDLDEWVNKJX-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 121107-18-4

CID: 22678982

Formula: C26H54F3NO3S

MW: 517.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	517.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	21
Exact Mass	517.37765024
Monoisotopic Mass	517.37765024
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	365
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
IL-0017-HP-BULK	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
IL-0017-HP-0500	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
IL-0017-HP-0050	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
IL-0017-HP-5000	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
IL-0017-HP-0025	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
IL-0017-HP-1000	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
IL-0017-HP-0250	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
IL-0017-HP-0100	Methyltrioctylammonium bis (trifluoromethylsulfonyl) imide
KI-0002-HP-1000	Methyl triflate
KI-0002-HP-0500	Methyl triflate

Catalog	Name
456137-01	Methyltrioctylammonium Chloride
sc-301163	Methyltrioctylammonium thiosalicylate
sc-250403	Methyltrioctylammonium bromide
FM43254-01	Methyltrioctylammonium hydrogen sulfate
HY-W099641-01	Methyltrioctylammonium hydrogen (sulfate)
JH224556	Diphenylvinylsulfonium Triflate
C50648-1G	Mannose triflate
712001	LITHIUM TRIFLATE
1019002	SODIUM TRIFLATE
GW9227-5g	Diphenyliodonium triflate