Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FX2S575HSW
EPA CompTox DTXSID5067429

Structure

InChI Key UVSPBAFXKQMDBG-UHFFFAOYSA-N
Smiles CCC(=O)OCCN(C)C
InChI
InChI=1S/C7H15NO2/c1-4-7(9)10-6-5-8(2)3/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O2
Molecular Weight 145.11
AlogP 0.5
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 29.54
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 29018-19-7
NORMAN SUSDAT
FDA SRS FX2S575HSW
PubChem 96643
ChemSpider 87251.0