Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H3SW669ZSK
EPA CompTox DTXSID10172242

Structure

InChI Key FBZVZUSVGKOWHG-UHFFFAOYSA-N
Smiles COC(C)(OC)[NH+](C)C
InChI
InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N1O2
Molecular Weight 133.11
AlogP 0.51
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 21.7
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 18871-66-4
NORMAN SUSDAT
FDA SRS H3SW669ZSK
PubChem 87835
ChemSpider 79243.0