Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F638O08DNS
EPA CompTox DTXSID80181200

Structure

InChI Key CNZVQCYTFMIBMO-UHFFFAOYSA-N
Smiles COCN1CCN(COC)C1=O
InChI
InChI=1S/C7H14N2O3/c1-11-5-8-3-4-9(6-12-2)7(8)10/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N2O3
Molecular Weight 174.1
AlogP -0.07
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 42.01
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2669-72-9
NORMAN SUSDAT
FDA SRS F638O08DNS
PubChem 72890
ChemSpider 65722.0