Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8154M6X68L
EPA CompTox DTXSID70866655

Structure

InChI Key OIQVKKOBTVZIFE-UHFFFAOYSA-N
Smiles CCOP(C)OCCN(C(C)C)C(C)C
InChI
InChI=1S/C11H26NO2P/c1-7-13-15(6)14-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H26N1O2P1
Molecular Weight 235.17
AlogP 3.1
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 21.7
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 57856-11-8
NORMAN SUSDAT
FDA SRS 8154M6X68L