Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80240487

Structure

InChI Key JLZOGLJEROCEQF-UHFFFAOYSA-N
Smiles NCCCNC(=O)O
InChI
InChI=1S/C4H10N2O2/c5-2-1-3-6-4(7)8/h6H,1-3,5H2,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10N2O2
Molecular Weight 118.07
AlogP -0.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 75.35
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 94088-76-3
NORMAN SUSDAT
PubChem 3023499
ChemSpider 2289688.0