Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1071747

Structure

InChI Key UIVFIHRGZKHWHB-UHFFFAOYSA-N
Smiles OCCNCCNCCNCCO
InChI
InChI=1S/C8H21N3O2/c12-7-5-10-3-1-9-2-4-11-6-8-13/h9-13H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H21N3O2
Molecular Weight 191.16
AlogP -2.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 10.0
Polar Surface Area 76.55
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 68797-59-1
NORMAN SUSDAT
PubChem 78235
ChemSpider 70610.0