OCTADECYLAMMONIUM ACETATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII 856J14021A
EPA CompTox DTXSID2051263

Structure

InChI Key UPHWVVKYDQHTCF-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC[NH3+].CC(=O)[O-]
InChI
InChI=1/C18H39N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h2-19H2,1H3;1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H43NO2
Molecular Weight 329.33
AlogP 6.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 63.32
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 2190-04-7
NORMAN SUSDAT
FDA SRS 856J14021A
CONTENTS