Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID70963471

Structure

InChI Key JLHFVIHSWVYOFK-UHFFFAOYSA-M
Smiles [Cl-].O1CC[N+](C)(CC1)CC2OC2
InChI
InChI=1/C8H16NO2.ClH/c1-9(6-8-7-11-8)2-4-10-5-3-9;/h8H,2-7H2,1H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16NO2
Molecular Weight 193.09
AlogP -3.13
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 21.76
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 45977-24-0
NORMAN SUSDAT
PubChem 3016452