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α-Nicotine

CAT: 0013-GTR19281034-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19281034-01Size:50 mg
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Description
α-Nicotine is an α-isomer of nicotine. Nicotine acts as an agonist of nicotinic acetylcholine receptors (nAChR) and holds potential for research in neuropsychiatric disorders such as schizophrenia and ADHD.
CAS Number
23950-04-1
Smiles
N=1C=CC=CC1C2N (C) CCC2
Molecular Formula
C10H14N2
Molecular Weight
162.24
Notes
For research use only.

Chemical Information

alpha-Nicotine

2-(1-methyl-2-pyrrolidinyl)-pyridine is an aralkylamine.

CAS Number23950-04-1
PubChem CID212128
IUPAC Name2-(1-methylpyrrolidin-2-yl)pyridine
Molecular FormulaC10H14N2
Molecular Weight162.23
XLogP1.2
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
CN1CCCC1C2=CC=CC=N2
InChI
InChI=1S/C10H14N2/c1-12-8-4-6-10(12)9-5-2-3-7-11-9/h2-3,5,7,10H,4,6,8H2,1H3
InChIKey
AQCRXZYYMOXFAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Nicotine
CAS: 23950-04-1
CID: 212128
Formula: C10H14N2
MW: 162.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.23
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass162.115698455
Monoisotopic Mass162.115698455
Topological Polar Surface Area16.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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