Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SH6Z2E9JPB
EPA CompTox DTXSID1065003

Structure

InChI Key JAEQOSKUYPMJAT-UHFFFAOYSA-N
Smiles COCCN1CCOCC1
InChI
InChI=1S/C7H15NO2/c1-9-5-2-8-3-6-10-7-4-8/h2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O2
Molecular Weight 145.11
AlogP -0.03
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 21.7
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10220-23-2
NORMAN SUSDAT
FDA SRS SH6Z2E9JPB
PubChem 82460
ChemSpider 55014.0