ETHYLTRI(OCTADECYL)AMMONIUM ETHYL SULPHATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID2070841

Structure

InChI Key MGUHJFIMPPINPG-UHFFFAOYSA-M
Smiles O=S(=O)([O-])OCC.CCCCCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChI
InChI=1/C56H116N.C2H6O4S/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57(8-4,55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3;1-2-6-7(3,4)5/h5-56H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C56H116N
Molecular Weight 927.9
AlogP 20.09
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 54.0
Polar Surface Area 66.43
Heavy Atoms 64.0

Cross References

Resources Reference
CAS NUMBER 67907-06-6
NORMAN SUSDAT
PubChem 106121
CONTENTS