Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 039791Y977
EPA CompTox DTXSID2044844

Structure

InChI Key RDCAZFAKCIEASQ-UHFFFAOYSA-N
Smiles CCCCCCCCOCCCN
InChI
InChI=1S/C11H25NO/c1-2-3-4-5-6-7-10-13-11-8-9-12/h2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H25N1O1
Molecular Weight 187.19
AlogP 2.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 35.25
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 15930-66-2
NORMAN SUSDAT
FDA SRS 039791Y977
PubChem 85192
ChemSpider 76827.0