Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60185180

Structure

InChI Key LVNQVIZBPSRXAN-UHFFFAOYSA-N
Smiles C1COCCN2CCOCCN(CCO1)CCOCC2
InChI
InChI=1S/C14H28N2O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h1-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28N2O4
Molecular Weight 288.2
AlogP -0.32
Hydrogen Bond Acceptor 6.0
Polar Surface Area 43.4
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 31250-06-3
NORMAN SUSDAT
PubChem 169276
ChemSpider 148053.0