Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70941496

Structure

InChI Key DHWUBIRULANTFI-UHFFFAOYSA-N
Smiles OCC(O)CNCC
InChI
InChI=1/C5H13NO2/c1-2-6-3-5(8)4-7/h5-8H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H13NO2
Molecular Weight 119.09
AlogP -1.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 52.49
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 19737-19-0
NORMAN SUSDAT
PubChem 89209