Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50172842

Structure

InChI Key JSINVKLVDNFTSU-UHFFFAOYSA-N
Smiles CN(C)CCOC(=O)CCC(=O)OCCN(C)C
InChI
InChI=1S/C12H24N2O4/c1-13(2)7-9-17-11(15)5-6-12(16)18-10-8-14(3)4/h5-10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24N2O4
Molecular Weight 260.17
AlogP -0.02
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 9.0
Polar Surface Area 59.08
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 19249-04-8
NORMAN SUSDAT
PubChem 87986
ChemSpider 79378.0