Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60240703

Structure

InChI Key ZDERHIYDYLUKHZ-UHFFFAOYSA-N
Smiles CCOP(=O)(OCCN)OCCN
InChI
InChI=1S/C6H17N2O4P/c1-2-10-13(9,11-5-3-7)12-6-4-8/h2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H17N2O4P1
Molecular Weight 212.09
AlogP 0.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 96.8
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 94134-15-3
NORMAN SUSDAT
PubChem 3023661
ChemSpider 2289780.0