Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5074636

Structure

InChI Key YDEDDFNFQOPRQJ-UHFFFAOYSA-N
Smiles CC(C)(C)NCCOCCO
InChI
InChI=1S/C8H19NO2/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19N1O2
Molecular Weight 161.14
AlogP 0.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 41.49
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 87787-67-5
NORMAN SUSDAT
PubChem 13643664