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Bmpip (NTf2)

CAT: 0931-TYD-01426-03Size: 50 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-01426-03Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
623580-02-9
Bioactivity
[Bmpip][NTf2] is composed of the 1-butyl-1-methylimidazolium cation and the bis (trifluoromethylsulfonyl) imide anion.
Smiles
O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.CCCC[N+]1(C)CCCCC1
Molecular Formula
C12H22F6N2O4S2
Molecular Weight
436.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CAS Number623580-02-9
PubChem CID12184311
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpiperidin-1-ium
Molecular FormulaC12H22F6N2O4S2
Molecular Weight436.4
Topological Polar Surface Area86
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity477
SMILES
CCCC[N+]1(CCCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H22N.C2F6NO4S2/c1-3-4-8-11(2)9-6-5-7-10-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1
InChIKey
ZDMWZUAOSLBMEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CAS: 623580-02-9
CID: 12184311
Formula: C12H22F6N2O4S2
MW: 436.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass436.09251851
Monoisotopic Mass436.09251851
Topological Polar Surface Area86 Ų
Heavy Atom Count26
Formal Charge0
Complexity477
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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