Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DZ6ERH52CN
EPA CompTox DTXSID7061227

Structure

InChI Key DKACXUFSLUYRFU-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)NN
InChI
InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12N2O2
Molecular Weight 132.09
AlogP 0.59
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 67.84
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 870-46-2
NORMAN SUSDAT
FDA SRS DZ6ERH52CN
PubChem 70091
ChemSpider 63279.0