Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 658AO12BQL
EPA CompTox DTXSID4060945

Structure

InChI Key HJKLEAOXCZIMPI-UHFFFAOYSA-N
Smiles CCOC(CN)OCC
InChI
InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N1O2
Molecular Weight 133.11
AlogP 0.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 44.48
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 645-36-3
NORMAN SUSDAT
FDA SRS 658AO12BQL
PubChem 69524
ChemSpider 62728.0