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(R)-(+)-Anatabine

CAT: 0572-TRC-A637490-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637490-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126454-22-6
Synonyms
(R)-(+)-Anatabine
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
C1N[C@H](CC=C1)c2cccnc2
Molecular Formula
C10 H12 N2
Molecular Weight
160.22
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/t10-/m1/s1
Additionnal Information
IUPAC name: 3-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(R)-(+)-Anatabine
CAS Number126454-22-6
PubChem CID12306779
IUPAC Name3-[(2R)-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=CCN[C@H]1C2=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/t10-/m1/s1
InChIKey
SOPPBXUYQGUQHE-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of (R)-(+)-Anatabine
CAS: 126454-22-6
CID: 12306779
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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