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[C3MPr]NTf2

CAT: 0931-TYD-01304-03Size: 50 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-01304-03Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
223437-05-6
Bioactivity
[C3MPr]NTf2 is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.CCC[N+]1(C)CCCC1
Molecular Formula
C10H18F6N2O4S2
Molecular Weight
408.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CAS Number223437-05-6
PubChem CID25171607
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
Molecular FormulaC10H18F6N2O4S2
Molecular Weight408.4
Topological Polar Surface Area86
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity456
SMILES
CCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H18N.C2F6NO4S2/c1-3-6-9(2)7-4-5-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
InChIKey
DKNRELLLVOYIIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CAS: 223437-05-6
CID: 25171607
Formula: C10H18F6N2O4S2
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass408.06121838
Monoisotopic Mass408.06121838
Topological Polar Surface Area86 Ų
Heavy Atom Count24
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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