N,N,N-TRIMETHYLOCTADECAN-1-AMINIUM CHLORIDE

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Salt-form
UNII CZ70647U92
EPA CompTox DTXSID1026902

Structure

InChI Key VBIIFPGSPJYLRR-UHFFFAOYSA-M
Smiles [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H46ClN
Molecular Weight 347.33
AlogP 3.96
Number of Rotational Bond 17.0
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 112-03-8
NORMAN SUSDAT
FDA SRS CZ70647U92
CONTENTS