Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20209114

Structure

InChI Key SJTSRPKYKAQUKM-UHFFFAOYSA-N
Smiles O1CCOCCNCCNCC1
InChI
InChI=1/C8H18N2O2/c1-2-10-4-6-12-8-7-11-5-3-9-1/h9-10H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18N2O2
Molecular Weight 174.14
AlogP -0.79
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 42.52
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 60350-13-2
NORMAN SUSDAT
PubChem 108925