Home Other Building Blocks (R,S)-N-Ethylnornicotine

(R,S)-N-Ethylnornicotine

CAS No.:
86900-39-2
Catalog Number:
AG004PBU
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
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Product Description
Catalog Number:
AG004PBU
Chemical Name:
(R,S)-N-Ethylnornicotine
CAS Number:
86900-39-2
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
MDL Number:
MFCD00798954
IUPAC Name:
3-(1-ethylpyrrolidin-2-yl)pyridine
InChI:
InChI=1S/C11H16N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3
InChI Key:
VXSLBTSUIZUVFX-UHFFFAOYSA-N
SMILES:
CCN1CCCC1c1cccnc1
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Binding of nicotine and homoazanicotine analogues at neuronal nicotinic acetylcholinergic (nACh) receptors. Bioorganic & medicinal chemistry letters 20030224
Properties