Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KF4TZ6WA3A
EPA CompTox DTXSID60234708

Structure

InChI Key ARKHANLODLSDSU-UHFFFAOYSA-N
Smiles CCCCCCOP(=O)(OCCN)OCCN
InChI
InChI=1S/C10H25N2O4P/c1-2-3-4-5-8-14-17(13,15-9-6-11)16-10-7-12/h2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H25N2O4P1
Molecular Weight 268.16
AlogP 1.64
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 96.8
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 85508-12-9
NORMAN SUSDAT
FDA SRS KF4TZ6WA3A
PubChem 3020758
ChemSpider 2287559.0