Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60888846

Structure

InChI Key WTSZPGPMXVFMCG-UHFFFAOYSA-N
Smiles CC(CN1CCOCC1)OCCN1CCOCC1
InChI
InChI=1S/C13H26N2O3/c1-13(12-15-4-9-17-10-5-15)18-11-6-14-2-7-16-8-3-14/h13H,2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H26N2O3
Molecular Weight 258.19
AlogP 0.06
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 34.17
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 111681-72-2
NORMAN SUSDAT
PubChem 86123
ChemSpider 77698.0