Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GAR2KL9YHC
EPA CompTox DTXSID3068120

Structure

InChI Key IQDWESONKRVAER-UHFFFAOYSA-N
Smiles CCCCNCCCCCCN
InChI
InChI=1S/C10H24N2/c1-2-3-9-12-10-7-5-4-6-8-11/h12H,2-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H24N2
Molecular Weight 172.19
AlogP 1.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 38.05
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 38615-43-9
NORMAN SUSDAT
FDA SRS GAR2KL9YHC
PubChem 38073
ChemSpider 34904.0