Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 964584YO2O
EPA CompTox DTXSID60183621

Structure

InChI Key QBPPRVHXOZRESW-UHFFFAOYSA-N
Smiles C1CNCCNCCNCCN1
InChI
InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N4
Molecular Weight 172.17
AlogP -1.64
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Polar Surface Area 48.12
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 294-90-6
NORMAN SUSDAT
FDA SRS 964584YO2O
PubChem 64963
ChemSpider 58488.0