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139536-94-0

139536-94-0 | Pyridinium, 1,1'-(1,6-hexanediyl)bis[2-methyl-, bromide (1:2)

CAS No: 139536-94-0 Catalog No: AG001B7F MDL No:

Product Description

Catalog Number:
AG001B7F
Chemical Name:
Pyridinium, 1,1'-(1,6-hexanediyl)bis[2-methyl-, bromide (1:2)
CAS Number:
139536-94-0
Molecular Formula:
C18H26Br2N2
Molecular Weight:
430.2204
IUPAC Name:
2-methyl-1-[6-(2-methylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium;dibromide
InChI:
InChI=1S/C18H26N2.2BrH/c1-17-11-5-9-15-19(17)13-7-3-4-8-14-20-16-10-6-12-18(20)2;;/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
SUCCSGNKFVBEHT-UHFFFAOYSA-L
SMILES:
Cc1cccc[n+]1CCCCCC[n+]1ccccc1C.[Br-].[Br-]

Properties

Complexity:
228  
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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