Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KPZ19NWF2I
EPA CompTox DTXSID1059311

Structure

InChI Key HDCAZTXEZQWTIJ-UHFFFAOYSA-N
Smiles CCNCCN(CC)CC
InChI
InChI=1S/C8H20N2/c1-4-9-7-8-10(5-2)6-3/h9H,4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N2
Molecular Weight 144.16
AlogP 0.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 15.27
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 105-04-4
NORMAN SUSDAT
FDA SRS KPZ19NWF2I
PubChem 66040
ChemSpider 59431.0