Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6068016

Structure

InChI Key GIAGDEKSOVTMFZ-UHFFFAOYSA-N
Smiles CN(C)CCOCOCCN(C)C
InChI
InChI=1S/C9H22N2O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H22N2O2
Molecular Weight 190.17
AlogP 0.1
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 24.94
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 36996-87-9
NORMAN SUSDAT
PubChem 169843
ChemSpider 148530.0