Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 2VMZ1ZD667
EPA CompTox DTXSID50180008

Structure

InChI Key QGYZLVSWEOXOFT-UHFFFAOYSA-N
Smiles CC(=O)[O-].CC(C)(C)NO
InChI
InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N1O1
Molecular Weight 89.08
AlogP 0.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 32.26
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 253605-31-1
NORMAN SUSDAT
FDA SRS 2VMZ1ZD667
PubChem 86585825
ChemSpider 8053094.0