Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZAC4V5NCG4
EPA CompTox DTXSID70240557

Structure

InChI Key GFQVCRLEDYPCAB-UHFFFAOYSA-N
Smiles CCCCN(CCCC)CCCN(CCCC)CCCC
InChI
InChI=1S/C19H42N2/c1-5-9-14-20(15-10-6-2)18-13-19-21(16-11-7-3)17-12-8-4/h5-19H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H42N2
Molecular Weight 298.33
AlogP 5.18
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 6.48
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 94107-99-0
NORMAN SUSDAT
FDA SRS ZAC4V5NCG4
PubChem 95119
ChemSpider 85831.0