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113515-60-9 | Quinolinium, 1,1'-(1,2-ethanediyl)bis-, dichloride (9CI)
CAS No: 113515-60-9 Catalog No: AG0008V8 MDL No:
Product Description
Catalog Number:
AG0008V8
Chemical Name:
Quinolinium, 1,1'-(1,2-ethanediyl)bis-, dichloride (9CI)
CAS Number:
113515-60-9
Molecular Formula:
C20H18Cl2N2
Molecular Weight:
357.2763
IUPAC Name:
1-(2-quinolin-1-ium-1-ylethyl)quinolin-1-ium;dichloride
InChI:
InChI=1S/C20H18N2.2ClH/c1-3-11-19-17(7-1)9-5-13-21(19)15-16-22-14-6-10-18-8-2-4-12-20(18)22;;/h1-14H,15-16H2;2*1H/q+2;;/p-2
InChI Key:
NOHWBCCEVZJYPV-UHFFFAOYSA-L
SMILES:
c1ccc2c(c1)[n+](ccc2)CC[n+]1cccc2c1cccc2.[Cl-].[Cl-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.085g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.278g/mol
Monoisotopic Mass:
356.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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