Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30885786

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11NO
Molecular Weight 89.08
AlogP -0.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 46.25
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 39884-48-5
NORMAN SUSDAT
PubChem 170254