Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C7V9C3N3E6
EPA CompTox DTXSID3022245

Structure

InChI Key DPLOXPRJCFWURN-UHFFFAOYSA-N
Smiles CCOC(CN(C)CC(OCC)OCC)OCC
InChI
InChI=1S/C13H29NO4/c1-6-15-12(16-7-2)10-14(5)11-13(17-8-3)18-9-4/h12-13H,6-11H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H29N1O4
Molecular Weight 263.21
AlogP 1.72
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 12.0
Polar Surface Area 40.16
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 6948-86-3
NORMAN SUSDAT
FDA SRS C7V9C3N3E6
PubChem 81381
ChemSpider 73429.0