Home Other Building Blocks 1-Octylpyridinium chloride

1-Octylpyridinium chloride

CAS No.:
4086-73-1
Catalog Number:
AG0035ER
Molecular Formula:
C13H22ClN
Molecular Weight:
227.7735
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Product Description
Catalog Number:
AG0035ER
Chemical Name:
1-Octylpyridinium chloride
CAS Number:
4086-73-1
Molecular Formula:
C13H22ClN
Molecular Weight:
227.7735
MDL Number:
MFCD08458952
IUPAC Name:
1-octylpyridin-1-ium;chloride
InChI:
InChI=1S/C13H22N.ClH/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:
OVIYAWWBKPWUOH-UHFFFAOYSA-M
SMILES:
CCCCCCCC[n+]1ccccc1.[Cl-]
EC Number:
223-818-1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.144g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.776g/mol
Monoisotopic Mass:
227.144g/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
Design, synthesis and in vitro evaluation of pyridinium ion based cyclase inhibitors and antifungal agents. Bioorganic & medicinal chemistry 19960101
Properties