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139653-53-5 | 1-Hexadecanaminium, N,N,N-trihexadecyl-, perchlorate (1:1)
CAS No: 139653-53-5 Catalog No: AG001BGC MDL No:
Product Description
Catalog Number:
AG001BGC
Chemical Name:
1-Hexadecanaminium, N,N,N-trihexadecyl-, perchlorate (1:1)
CAS Number:
139653-53-5
Molecular Formula:
C64H132ClNO4
Molecular Weight:
1015.1902
IUPAC Name:
tetrahexadecylazanium;perchlorate
InChI:
InChI=1S/C64H132N.ClHO4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;2-1(3,4)5/h5-64H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
JVHXKWHDGRRNQK-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1013.984g/mol
Formal Charge:
0
Heavy Atom Count:
70
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1015.213g/mol
Monoisotopic Mass:
1013.984g/mol
Rotatable Bond Count:
60
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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