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Nicotine EP Impurity F

CAT: 1299-RM-N090306-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N090306-01Size:10 mg
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CAS Number
494-97-3
Synonyms
(S) -3- (pyrrolidin-2-yl) pyridine
Molecular Formula
C9H12N2
Molecular Weight
148.2
Target Alternative Name
Nicotine
Product Name Synonym
(S) -3- (pyrrolidin-2-yl) pyridine

Chemical Information

Nornicotine

(S)-nornicotine is a pyridine alkaloid that is nicotine lacking the methyl group on the pyrrolidine nitrogen. It has a role as a phytogenic insecticide, a metabolite and a nicotinic acetylcholine receptor agonist. It is a pyridine alkaloid and a pyrrolidine alkaloid. It is a conjugate base of a (S)-nornicotine(1+). It is an enantiomer of a (+)-Nornicotine. It derives from a hydride of a nicotine.

CAS Number494-97-3
PubChem CID91462
IUPAC Name3-[(2S)-pyrrolidin-2-yl]pyridine
Molecular FormulaC9H12N2
Molecular Weight148.20
XLogP0.2
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity125
SMILES
C1C[C@H](NC1)C2=CN=CC=C2
InChI
InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1
InChIKey
MYKUKUCHPMASKF-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Nornicotine
CAS: 494-97-3
CID: 91462
Formula: C9H12N2
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass148.100048391
Monoisotopic Mass148.100048391
Topological Polar Surface Area24.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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