Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00955243

Structure

InChI Key WUQJBIQCZYGKAJ-UHFFFAOYSA-N
Smiles O=C(OC)CC(N(CC)CC)C
InChI
InChI=1/C9H19NO2/c1-5-10(6-2)8(3)7-9(11)12-4/h8H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19NO2
Molecular Weight 173.14
AlogP 1.28
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 29.54
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 33611-41-5
NORMAN SUSDAT
PubChem 118094