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Benzoylcholine iodide

CAT: 0931-TYD-01782-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-01782-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17518-43-3
Bioactivity
Benzoylcholine iodide 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
[I-].O=C(OCC[N+](C)(C)C)C=1C=CC=CC1
Molecular Formula
C12H18INO2
Molecular Weight
335.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)
CAS Number17518-43-3
PubChem CID87143
IUPAC Name2-benzoyloxyethyl(trimethyl)azanium iodide
Molecular FormulaC12H18INO2
Molecular Weight335.18
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity202
SMILES
C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[I-]
InChI
InChI=1S/C12H18NO2.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
InChIKey
XILQCEGWGBSDSH-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-, iodide (1:1)
CAS: 17518-43-3
CID: 87143
Formula: C12H18INO2
MW: 335.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.18
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass335.03823
Monoisotopic Mass335.03823
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity202
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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Alternative Products

CatalogName
sc-291945Benzoylcholine iodide
HY-W127666Benzoylcholine (iodide)
sc-214590ABenzoylcholine chloride
HY-W127639-01Benzoylcholine (chloride)
sc-291944Benzoylcholine Bromide
HY-W127657-01Benzoylcholine (bromide)
MA-0228Iodide
056195-01Cuprous Iodide for Synthesis (Copper (I) Iodide)
IN12525-01Bis[ (tetrabutylammonium iodide) copper (I) iodide]
#40016Propidium Iodide

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