Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00996015

Structure

InChI Key QZNLTZOIQGUVGO-UHFFFAOYSA-N
Smiles O=C(C)CCCN(CC)CCO
InChI
InChI=1/C9H19NO2/c1-3-10(7-8-11)6-4-5-9(2)12/h11H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19NO2
Molecular Weight 173.14
AlogP 0.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 40.54
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 74509-79-8
NORMAN SUSDAT
PubChem 3018517