Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9DJ3133IMJ
EPA CompTox DTXSID9059256

Structure

InChI Key UNEXJVCWJSHFNN-UHFFFAOYSA-N
Smiles CCN(CC)CN(CC)CC
InChI
InChI=1S/C9H22N2/c1-5-10(6-2)9-11(7-3)8-4/h5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H22N2
Molecular Weight 158.18
AlogP 1.63
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 6.48
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 102-53-4
NORMAN SUSDAT
FDA SRS 9DJ3133IMJ
PubChem 66020
ChemSpider 59411.0