Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8LT9SA85Z9
EPA CompTox DTXSID30181851

Structure

InChI Key JILXUIANNUALRZ-UHFFFAOYSA-N
Smiles CCN(CC)CCCCN
InChI
InChI=1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N2
Molecular Weight 144.16
AlogP 1.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 29.26
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 27431-62-5
NORMAN SUSDAT
FDA SRS 8LT9SA85Z9
PubChem 117976
ChemSpider 105419.0