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(R, S) -Anatabine

CAT: 1410-M24183-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M24183-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R, S) -Anatabine is a minor tobacco alkaloid found in the Solanaceae family of plants, and can be used as a specific marker for the detection of tobacco use.
CAS Number
2743-90-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
160.22
Molecular Formula
C10H12N2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine

D,L-Anatabine has been reported in Nicotiana tabacum and Nicotiana with data available.

CAS Number2743-90-0
PubChem CID261474
IUPAC Name3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
Molecular FormulaC10H12N2
Molecular Weight160.22
XLogP0.9
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
C1C=CCNC1C2=CN=CC=C2
InChI
InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2
InChIKey
SOPPBXUYQGUQHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CAS: 2743-90-0
CID: 261474
Formula: C10H12N2
MW: 160.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.22
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass160.100048391
Monoisotopic Mass160.100048391
Topological Polar Surface Area24.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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