1-(DODECYLBENZYL)PYRIDINIUM CHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID10895126

Structure

InChI Key RZOHTMUSTQPAEP-UHFFFAOYSA-M
Smiles [Cl-].C=1C=C[N+](=CC1)CC=2C=CC=CC2CCCCCCCCCCCC
InChI
InChI=1/C24H36N.ClH/c1-2-3-4-5-6-7-8-9-10-12-17-23-18-13-14-19-24(23)22-25-20-15-11-16-21-25;/h11,13-16,18-21H,2-10,12,17,22H2,1H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H36N
Molecular Weight 373.25
AlogP 3.49
Number of Rotational Bond 13.0
Polar Surface Area 3.88
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 30901-67-8
NORMAN SUSDAT
PubChem 18615810
CONTENTS