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82111-06-6 | Pyridine,3-methyl-5-(1-methyl-2-pyrrolidinyl)-
CAS No: 82111-06-6 Catalog No: AG004WGE MDL No:
Product Description
Catalog Number:
AG004WGE
Chemical Name:
Pyridine,3-methyl-5-(1-methyl-2-pyrrolidinyl)-
CAS Number:
82111-06-6
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
IUPAC Name:
3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
InChI:
InChI=1S/C11H16N2/c1-9-6-10(8-12-7-9)11-4-3-5-13(11)2/h6-8,11H,3-5H2,1-2H3
InChI Key:
WPPLPODBERCBRQ-UHFFFAOYSA-N
SMILES:
CN1CCCC1c1cncc(c1)C
Properties
Complexity:
170
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:
1
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| 3-(2-Aminoethyl)pyridine analogs as alpha4beta2 nicotinic cholinergic receptor ligands. | Bioorganic & medicinal chemistry letters 20051001 |
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