Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2ER5HFS96F
EPA CompTox DTXSID4063662

Structure

InChI Key FXTTXOYMDFLEKM-UHFFFAOYSA-N
Smiles CCCCOCNC(=O)NCOCCCC
InChI
InChI=1S/C11H24N2O3/c1-3-5-7-15-9-12-11(14)13-10-16-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H24N2O3
Molecular Weight 232.18
AlogP 2.04
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 63.08
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 4981-47-9
NORMAN SUSDAT
FDA SRS 2ER5HFS96F
PubChem 78679
ChemSpider 71030.0