Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1065348

Structure

InChI Key MDKQJOKKKZNQDG-UHFFFAOYSA-N
Smiles C[NH2+]CCCCCC[NH2+]C
InChI
InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N2
Molecular Weight 144.16
AlogP 0.99
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 24.06
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13093-04-4
NORMAN SUSDAT
PubChem 83131
ChemSpider 74999.0