Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70946466

Structure

InChI Key CNRWEHBBGLCEHG-UHFFFAOYSA-N
Smiles O=C(OCC)CCNCC
InChI
InChI=1/C7H15NO2/c1-3-8-6-5-7(9)10-4-2/h8H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO2
Molecular Weight 145.11
AlogP 0.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.33
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 23651-62-9
NORMAN SUSDAT
PubChem 90223