Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U922V759UH
EPA CompTox DTXSID7063263

Structure

InChI Key YRGVKPIUZUOJSJ-UHFFFAOYSA-N
Smiles CCCCNCCNCCCC
InChI
InChI=1S/C10H24N2/c1-3-5-7-11-9-10-12-8-6-4-2/h11-12H,3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H24N2
Molecular Weight 172.19
AlogP 1.77
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 24.06
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 4013-95-0
NORMAN SUSDAT
FDA SRS U922V759UH
PubChem 77629
ChemSpider 69508.0