Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F8CJN663QA
EPA CompTox DTXSID60871036

Structure

InChI Key HNFUIXOBWCFVAJ-UHFFFAOYSA-N
Smiles O(CC)C(OCC)CN(CC)CC
InChI
InChI=1/C10H23NO2/c1-5-11(6-2)9-10(12-7-3)13-8-4/h10H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23NO2
Molecular Weight 189.17
AlogP 1.73
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 21.7
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 3616-57-7
NORMAN SUSDAT
FDA SRS F8CJN663QA
PubChem 77164