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189328-19-6 | 1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexakis(decyl)-, iodide (1:2)
CAS No: 189328-19-6 Catalog No: AG002IAD MDL No:
Product Description
Catalog Number:
AG002IAD
Chemical Name:
1,6-Hexanediaminium, N1,N1,N1,N6,N6,N6-hexakis(decyl)-, iodide (1:2)
CAS Number:
189328-19-6
Molecular Formula:
C66H138I2N2
Molecular Weight:
1213.6243
IUPAC Name:
tris-decyl-[6-(tris-decylazaniumyl)hexyl]azanium;diiodide
InChI:
InChI=1S/C66H138N2.2HI/c1-7-13-19-25-31-37-43-51-59-67(60-52-44-38-32-26-20-14-8-2,61-53-45-39-33-27-21-15-9-3)65-57-49-50-58-66-68(62-54-46-40-34-28-22-16-10-4,63-55-47-41-35-29-23-17-11-5)64-56-48-42-36-30-24-18-12-6;;/h7-66H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
PRKHDDXSIAPHSO-UHFFFAOYSA-L
SMILES:
CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[I-].[I-]
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1212.895g/mol
Formal Charge:
0
Heavy Atom Count:
70
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1213.653g/mol
Monoisotopic Mass:
1212.895g/mol
Rotatable Bond Count:
61
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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