Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3069192

Structure

InChI Key RDOJBMGPKKSKCQ-UHFFFAOYSA-N
Smiles CN(C)CCCN(CCO)CCO
InChI
InChI=1S/C9H22N2O2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h12-13H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H22N2O2
Molecular Weight 190.17
AlogP -0.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 46.94
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 57567-83-6
NORMAN SUSDAT
PubChem 93718
ChemSpider 84595.0