Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D2B9SB6R87
EPA CompTox DTXSID20183622

Structure

InChI Key PWJHXHMUGFXPSN-UHFFFAOYSA-N
Smiles O1CCNCCOCCNCC1
InChI
InChI=1/C8H18N2O2/c1-5-11-7-3-10-4-8-12-6-2-9-1/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 294-92-8
NORMAN SUSDAT
FDA SRS D2B9SB6R87
PubChem 67522