Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 52QJ9W2THX
EPA CompTox DTXSID6059310

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H22N2
Molecular Weight 158.18
AlogP 1.28
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 104-99-4
NORMAN SUSDAT
FDA SRS 52QJ9W2THX
PubChem 66919
ChemSpider 60281.0