Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70209225

Structure

InChI Key FZESNTXZWKMSPC-UHFFFAOYSA-N
Smiles OCCNCCNCCN(CCO)CCO
InChI
InChI=1S/C10H25N3O3/c14-8-4-12-2-1-11-3-5-13(6-9-15)7-10-16/h11-12,14-16H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H25N3O3
Molecular Weight 235.19
AlogP -2.56
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 12.0
Polar Surface Area 87.99
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 60487-27-6
NORMAN SUSDAT
PubChem 108951
ChemSpider 97979.0