Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50975714

Structure

InChI Key CTSOJEIWXYRSEM-UHFFFAOYSA-N
Smiles OCC(O)CN(CCC)CCC
InChI
InChI=1/C9H21NO2/c1-3-5-10(6-4-2)7-9(12)8-11/h9,11-12H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21NO2
Molecular Weight 175.16
AlogP 0.46
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 43.7
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 60302-96-7
NORMAN SUSDAT
PubChem 108435