Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L59259H635
EPA CompTox DTXSID3060663

Structure

InChI Key UYBWIEGTWASWSR-UHFFFAOYSA-N
Smiles NCC(O)CN
InChI
InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H10N2O1
Molecular Weight 90.08
AlogP -1.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 72.27
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 616-29-5
NORMAN SUSDAT
FDA SRS L59259H635
PubChem 61157
ChemSpider 55104.0