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23815-52-3 | Quinolinium, 1,1'-(1,10-decanediyl)bis[4-methyl-
CAS No: 23815-52-3 Catalog No: AG006UHO MDL No:
Product Description
Catalog Number:
AG006UHO
Chemical Name:
Quinolinium, 1,1'-(1,10-decanediyl)bis[4-methyl-
CAS Number:
23815-52-3
Molecular Formula:
C30H38N2++
Molecular Weight:
426.6361
IUPAC Name:
4-methyl-1-[10-(4-methylquinolin-1-ium-1-yl)decyl]quinolin-1-ium
InChI:
InChI=1S/C30H38N2/c1-25-19-23-31(29-17-11-9-15-27(25)29)21-13-7-5-3-4-6-8-14-22-32-24-20-26(2)28-16-10-12-18-30(28)32/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/q+2
InChI Key:
IRBYZNYPPLXOPE-UHFFFAOYSA-N
SMILES:
Cc1cc[n+](c2c1cccc2)CCCCCCCCCC[n+]1ccc(c2c1cccc2)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.303g/mol
Formal Charge:
2
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.648g/mol
Monoisotopic Mass:
426.303g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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