Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID201004831

Structure

InChI Key RXFQHLJNQDJBEG-UHFFFAOYSA-N
Smiles OCC(O)CNCCCN(C)C
InChI
InChI=1/C8H20N2O2/c1-10(2)5-3-4-9-6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N2O2
Molecular Weight 176.15
AlogP -1.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 55.73
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 84540-70-5
NORMAN SUSDAT
PubChem 3019950