Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T7AF6MD2C8
EPA CompTox DTXSID20181183

Structure

InChI Key WOVJRSMTQMZAJS-UHFFFAOYSA-N
Smiles NCCCNCCCCCCNCCCN
InChI
InChI=1S/C12H30N4/c13-7-5-11-15-9-3-1-2-4-10-16-12-6-8-14/h15-16H,1-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H30N4
Molecular Weight 230.25
AlogP 0.42
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 76.1
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 26650-11-3
NORMAN SUSDAT
FDA SRS T7AF6MD2C8
PubChem 117835
ChemSpider 105297.0