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Nicotelline

CAT: 0572-TRC-N401200-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N401200-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
494-04-2
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
c1cncc(c1)c2ccnc(c2)c3cccnc3
Molecular Formula
C15 H11 N3
Molecular Weight
233.27
InChI
InChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H
Additionnal Information
IUPAC name: 2,4-dipyridin-3-ylpyridine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Nicotelline

nicotelline has been reported in Nicotiana tabacum with data available.

CAS Number494-04-2
PubChem CID68123
IUPAC Name2,4-dipyridin-3-ylpyridine
Molecular FormulaC15H11N3
Molecular Weight233.27
XLogP2
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity256
SMILES
C1=CC(=CN=C1)C2=CC(=NC=C2)C3=CN=CC=C3
InChI
InChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H
InChIKey
OILSPHJMIPYURT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicotelline
CAS: 494-04-2
CID: 68123
Formula: C15H11N3
MW: 233.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.27
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass233.095297364
Monoisotopic Mass233.095297364
Topological Polar Surface Area38.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FN26194-01Nicotelline
HY-135560SNicotelline-d9
165615Nicotelline-d8
sc-478201Nicotelline-d9 (Major)

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