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125093-38-1 | Quinolinium, 1,1'-(1,6-hexanediyl)bis[4-amino-2-methyl-, diiodide (9CI)
CAS No: 125093-38-1 Catalog No: AG000N4H MDL No:
Product Description
Catalog Number:
AG000N4H
Chemical Name:
Quinolinium, 1,1'-(1,6-hexanediyl)bis[4-amino-2-methyl-, diiodide (9CI)
CAS Number:
125093-38-1
Molecular Formula:
C26H32I2N4
Molecular Weight:
654.3680
IUPAC Name:
1-[6-(4-amino-2-methylquinolin-1-ium-1-yl)hexyl]-2-methylquinolin-1-ium-4-amine
InChI:
InChI=1S/C26H30N4/c1-19-17-23(27)21-11-5-7-13-25(21)29(19)15-9-3-4-10-16-30-20(2)18-24(28)22-12-6-8-14-26(22)30/h5-8,11-14,17-18,27-28H,3-4,9-10,15-16H2,1-2H3/p+2
InChI Key:
LINDRLLQNAMAOH-UHFFFAOYSA-P
SMILES:
Nc1cc(C)[n+](c2c1cccc2)CCCCCC[n+]1c(C)cc(c2c1cccc2)N.[I-].[I-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.263g/mol
Formal Charge:
2
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.57g/mol
Monoisotopic Mass:
400.263g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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