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93383-55-2 | Benzenaminium, 4,4'-methylenebis[N-hexyl-N,N-dimethyl-, dichloride
CAS No: 93383-55-2 Catalog No: AG006G72 MDL No:
Product Description
Catalog Number:
AG006G72
Chemical Name:
Benzenaminium, 4,4'-methylenebis[N-hexyl-N,N-dimethyl-, dichloride
CAS Number:
93383-55-2
Molecular Formula:
C29H48Cl2N2
Molecular Weight:
495.6108
IUPAC Name:
hexyl-[4-[[4-[hexyl(dimethyl)azaniumyl]phenyl]methyl]phenyl]-dimethylazanium;dichloride
InChI:
InChI=1S/C29H48N2.2ClH/c1-7-9-11-13-23-30(3,4)28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)31(5,6)24-14-12-10-8-2;;/h15-22H,7-14,23-25H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
NADQTQNJSUDYCX-UHFFFAOYSA-L
SMILES:
CCCCCC[N+](c1ccc(cc1)Cc1ccc(cc1)[N+](CCCCCC)(C)C)(C)C.[Cl-].[Cl-]
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.319g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.617g/mol
Monoisotopic Mass:
494.319g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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