Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8025042

Structure

InChI Key BSZXIHSHPYRELV-UHFFFAOYSA-N
Smiles CCCCN(CCCC)P(=O)(OCC)OCC
InChI
InChI=1S/C12H28NO3P/c1-5-9-11-13(12-10-6-2)17(14,15-7-3)16-8-4/h5-12H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H28N1O3P1
Molecular Weight 265.18
AlogP 4.07
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 38.77
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 67828-17-5
NORMAN SUSDAT
PubChem 105706
ChemSpider 95278.0