Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FX7MP8BZX9
EPA CompTox DTXSID9061914

Structure

InChI Key QRQKCMFVJWNKQI-UHFFFAOYSA-N
Smiles C(CN1CCOCC1)N1CCOCC1
InChI
InChI=1S/C10H20N2O2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2O2
Molecular Weight 200.15
AlogP -0.35
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 24.94
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1723-94-0
NORMAN SUSDAT
FDA SRS FX7MP8BZX9
PubChem 72888
ChemSpider 65720.0