Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WR5QE9GST6
EPA CompTox DTXSID50159299

Structure

InChI Key MVPRCWFLPDNGNR-UHFFFAOYSA-N
Smiles NN(CCO)CCO
InChI
InChI=1S/C4H12N2O2/c5-6(1-3-7)2-4-8/h7-8H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H12N2O2
Molecular Weight 120.09
AlogP -1.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 69.72
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 13529-51-6
NORMAN SUSDAT
FDA SRS WR5QE9GST6
PubChem 26086
ChemSpider 24298.0