Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E2RK6LB4WT
EPA CompTox DTXSID20179924

Structure

InChI Key XLAXYNXVOVMHMJ-UHFFFAOYSA-N
Smiles CCOCCCN(C)C
InChI
InChI=1S/C7H17NO/c1-4-9-7-5-6-8(2)3/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N1O1
Molecular Weight 131.13
AlogP 0.97
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 12.47
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 25277-18-3
NORMAN SUSDAT
FDA SRS E2RK6LB4WT
PubChem 91374
ChemSpider 82508.0