Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40992354

Structure

InChI Key JWMZBTCOXOGERJ-UHFFFAOYSA-N
Smiles O=C(OC)C(C)CN(CCCC)CCCC
InChI
InChI=1/C13H27NO2/c1-5-7-9-14(10-8-6-2)11-12(3)13(15)16-4/h12H,5-11H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H27NO2
Molecular Weight 229.2
AlogP 2.7
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 29.54
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 71735-20-1
NORMAN SUSDAT
PubChem 3018249