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862855-14-9 | 1-Hexadecanaminium, N,N-dihexadecyl-N-methyl-, iodide
CAS No: 862855-14-9 Catalog No: AG004MTI MDL No:
Product Description
Catalog Number:
AG004MTI
Chemical Name:
1-Hexadecanaminium, N,N-dihexadecyl-N-methyl-, iodide
CAS Number:
862855-14-9
Molecular Formula:
C49H102IN
Molecular Weight:
832.2454
IUPAC Name:
trihexadecyl(methyl)azanium;iodide
InChI:
InChI=1S/C49H102N.HI/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50(4,48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;/h5-49H2,1-4H3;1H/q+1;/p-1
InChI Key:
FPLGPDSXCDPVAS-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)C.[I-]
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
831.706g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
832.266g/mol
Monoisotopic Mass:
831.706g/mol
Rotatable Bond Count:
45
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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