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113545-39-4 | Quinolinium, 1,1'-(1,10-decanediyl)bis-
CAS No: 113545-39-4 Catalog No: AG0008YO MDL No:
Product Description
Catalog Number:
AG0008YO
Chemical Name:
Quinolinium, 1,1'-(1,10-decanediyl)bis-
CAS Number:
113545-39-4
Molecular Formula:
C28H34N2++
Molecular Weight:
398.5830
IUPAC Name:
1-(10-quinolin-1-ium-1-yldecyl)quinolin-1-ium
InChI:
InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2
InChI Key:
YZDRSBRUONQQBH-UHFFFAOYSA-N
SMILES:
C(CCCC[n+]1cccc2c1cccc2)CCCCC[n+]1cccc2c1cccc2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.272g/mol
Formal Charge:
2
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.594g/mol
Monoisotopic Mass:
398.272g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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