Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00176496

Structure

InChI Key XXOQMYGARAONKF-UHFFFAOYSA-N
Smiles NCCNCCNCCNCc1ccccc1
InChI
InChI=1S/C13H24N4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,15-17H,6-12,14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H24N4
Molecular Weight 236.2
AlogP -0.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 62.11
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 22029-44-3
NORMAN SUSDAT
PubChem 89160
ChemSpider 80456.0