Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XF4JYB7VV5
EPA CompTox DTXSID7066803

Structure

InChI Key QKWWDTYDYOFRJL-UHFFFAOYSA-N
Smiles COC(CN)OC
InChI
InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N1O2
Molecular Weight 105.08
AlogP -0.44
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 44.48
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 22483-09-6
NORMAN SUSDAT
FDA SRS XF4JYB7VV5
PubChem 89728
ChemSpider 80987.0