Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90212892

Structure

InChI Key GJBKLYJVZOTRSP-UHFFFAOYSA-N
Smiles C(N1CCCOC1)N1CCCOC1
InChI
InChI=1S/C9H18N2O2/c1-3-10(8-12-5-1)7-11-4-2-6-13-9-11/h1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18N2O2
Molecular Weight 186.14
AlogP 0.3
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 24.94
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 63489-63-4
NORMAN SUSDAT
PubChem 6454623
ChemSpider 4956934.0