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139536-93-9 | Pyridinium, 1,1'-(1,6-hexanediyl)bis[4-methyl-, bromide (1:2)
CAS No: 139536-93-9 Catalog No: AG001B7G MDL No:
Product Description
Catalog Number:
AG001B7G
Chemical Name:
Pyridinium, 1,1'-(1,6-hexanediyl)bis[4-methyl-, bromide (1:2)
CAS Number:
139536-93-9
Molecular Formula:
C18H26Br2N2
Molecular Weight:
430.2204
IUPAC Name:
4-methyl-1-[6-(4-methylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium;dibromide
InChI:
InChI=1S/C18H26N2.2BrH/c1-17-7-13-19(14-8-17)11-5-3-4-6-12-20-15-9-18(2)10-16-20;;/h7-10,13-16H,3-6,11-12H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
LVWWRFZEMJGEQC-UHFFFAOYSA-L
SMILES:
Cc1cc[n+](cc1)CCCCCC[n+]1ccc(cc1)C.[Br-].[Br-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.228g/mol
Monoisotopic Mass:
428.046g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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