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Nicotine monomethiodide

CAT: 0931-T69804-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69804-01Size:25 mg
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CAS Number
22083-76-7
Target
Others
Related Pathways
Others
Bioactivity
Nicotine monomethiodide is highly toxic alkaloid. It is the prototypical agonist at nicotinic cholinergic receptors where it dramatically stimulates neurons and ultimately blocks synaptic transmission. Nicotine is also important medically because of its presence in tobacco smoke.
Smiles
CI.CN1CCC[C@H]1c1cccnc1
Molecular Formula
C11H17IN2
Molecular Weight
304.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nicotine monomethiodide
CAS Number22083-76-7
PubChem CID89593
IUPAC Nameiodomethane;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Molecular FormulaC11H17IN2
Molecular Weight304.17
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity149
SMILES
CN1CCC[C@H]1C2=CN=CC=C2.CI
InChI
InChI=1S/C10H14N2.CH3I/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2/h2,4,6,8,10H,3,5,7H2,1H3;1H3/t10-;/m0./s1
InChIKey
YLLWAVOIHHJKNC-PPHPATTJSA-N
Chemical Structure
2D Structure
2D structure of Nicotine monomethiodide
CAS: 22083-76-7
CID: 89593
Formula: C11H17IN2
MW: 304.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.17
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass304.04365
Monoisotopic Mass304.04365
Topological Polar Surface Area16.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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