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39868-02-5 | Pyridinium, 1-propyl-, iodide
CAS No: 39868-02-5 Catalog No: AG0076VS MDL No:
Product Description
Catalog Number:
AG0076VS
Chemical Name:
Pyridinium, 1-propyl-, iodide
CAS Number:
39868-02-5
Molecular Formula:
C8H12IN
Molecular Weight:
249.0921
IUPAC Name:
1-propylpyridin-1-ium;iodide
InChI:
InChI=1S/C8H12N.HI/c1-2-6-9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H/q+1;/p-1
InChI Key:
IUSJCKRMCGLIDM-UHFFFAOYSA-M
SMILES:
CCC[n+]1ccccc1.[I-]
Properties
Complexity:
65
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.095g/mol
Monoisotopic Mass:
249.001g/mol
Rotatable Bond Count:
2
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 |
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