Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID30233804

Structure

InChI Key FGDABGPSQJJTDH-ILKKLZGPSA-N
Smiles Cl.Cl.CCOC(=O)C(N)CCCN
InChI
InChI=1S/C7H16N2O2/c1-2-11-7(10)6(9)4-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16N2O2
Molecular Weight 160.12
AlogP -0.38
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 78.34
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 84772-29-2
NORMAN SUSDAT
PubChem 44151258
ChemSpider 8118343.0