Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TB4OJ5XA2T
EPA CompTox DTXSID60221951

Structure

InChI Key KPZNJYFFUWANHA-UHFFFAOYSA-N
Smiles CCCCCCCCNCCCN
InChI
InChI=1S/C11H26N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H26N2
Molecular Weight 186.21
AlogP 2.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 38.05
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 7173-57-1
NORMAN SUSDAT
FDA SRS TB4OJ5XA2T
PubChem 81603
ChemSpider 73633.0