Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID40232762

Structure

InChI Key JUIQWDFWJKAYQH-WLYNEOFISA-N
Smiles [Cl-].CCOC(=O)N1CCC(N)C(C1)OC.[H+]
InChI
InChI=1S/C9H18N2O3/c1-3-14-9(12)11-5-4-7(10)8(6-11)13-2/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18N2O3
Molecular Weight 202.13
AlogP 0.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 64.79
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 83863-71-2
NORMAN SUSDAT
ChemSpider 2286643.0