Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key HSKTULZIVGWQHZ-UHFFFAOYSA-N
Smiles CC(=O)O.NCCCCCCN
InChI
InChI=1/C6H16N2.C2H4O2/c7-5-3-1-2-4-6-8;1-2(3)4/h1-8H2;1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N2O2
Molecular Weight 176.15
AlogP 0.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 89.34
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 54617-20-8
NORMAN SUSDAT