Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20937228

Structure

InChI Key AEKHFLDILSDXBL-UHFFFAOYSA-N
Smiles OC(C)CNC
InChI
InChI=1/C4H11NO/c1-4(6)3-5-2/h4-6H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11NO
Molecular Weight 89.08
AlogP -0.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 32.26
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 16667-45-1
NORMAN SUSDAT
PubChem 86049