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10291-06-2 | N-OCTYLPYRIDINIUM IODIDE
CAS No: 10291-06-2 Catalog No: AG00867A MDL No:
Product Description
Catalog Number:
AG00867A
Chemical Name:
N-OCTYLPYRIDINIUM IODIDE
CAS Number:
10291-06-2
Molecular Formula:
C13H22IN
Molecular Weight:
319.2249
IUPAC Name:
1-octylpyridin-1-ium;iodide
InChI:
InChI=1S/C13H22N.HI/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1
InChI Key:
XDCILYQINRVJBM-UHFFFAOYSA-M
SMILES:
CCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.23g/mol
Monoisotopic Mass:
319.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| QSAR study on maximal inhibition (Imax) of quaternary ammonium antagonists for S-(-)-nicotine-evoked dopamine release from dopaminergic nerve terminals in rat striatum. | Bioorganic & medicinal chemistry 20090701 |
| Development of subtype-selective ligands as antagonists at nicotinic receptors mediating nicotine-evoked dopamine release. | Bioorganic & medicinal chemistry letters 20040419 |
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