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114068-87-0 | Pyridinium, 4,4'-(1,2-ethenediyl)bis[1-propyl-, dichloride (9CI)
CAS No: 114068-87-0 Catalog No: AG000AGY MDL No:
Product Description
Catalog Number:
AG000AGY
Chemical Name:
Pyridinium, 4,4'-(1,2-ethenediyl)bis[1-propyl-, dichloride (9CI)
CAS Number:
114068-87-0
Molecular Formula:
C18H24Cl2N2
Molecular Weight:
339.3026
IUPAC Name:
1-propyl-4-[2-(1-propylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium;dichloride
InChI:
InChI=1S/C18H24N2.2ClH/c1-3-11-19-13-7-17(8-14-19)5-6-18-9-15-20(12-4-2)16-10-18;;/h5-10,13-16H,3-4,11-12H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
LFCWMKWAFGNARB-UHFFFAOYSA-L
SMILES:
CCC[n+]1ccc(cc1)C=Cc1cc[n+](cc1)CCC.[Cl-].[Cl-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.304g/mol
Monoisotopic Mass:
338.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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