Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YWA428A2C6
EPA CompTox DTXSID60226007

Structure

InChI Key YOBPNEJRBSOFAJ-UHFFFAOYSA-N
Smiles CCCCOCN1COCN(COCCCC)C1=O
InChI
InChI=1S/C13H26N2O4/c1-3-5-7-17-9-14-11-19-12-15(13(14)16)10-18-8-6-4-2/h3-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H26N2O4
Molecular Weight 274.19
AlogP 2.2
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 51.24
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 7504-68-9
NORMAN SUSDAT
FDA SRS YWA428A2C6
PubChem 82015
ChemSpider 74020.0