Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5067001

Structure

InChI Key IZYZHQOYVLYGRW-UHFFFAOYSA-N
Smiles NCCCN1CCCCCC1=O
InChI
InChI=1S/C9H18N2O/c10-6-4-8-11-7-3-1-2-5-9(11)12/h1-8,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18N2O1
Molecular Weight 170.14
AlogP 0.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.33
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 24566-95-8
NORMAN SUSDAT
PubChem 90542
ChemSpider 81749.0