Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TN4DXU3BNP
EPA CompTox DTXSID3074490

Structure

InChI Key NMLNNXGEQCSYGQ-UHFFFAOYSA-N
Smiles CCCCCCCCN1CCOCC1
InChI
InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h2-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H25N1O1
Molecular Weight 199.19
AlogP 2.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 12.47
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 13063-60-0
NORMAN SUSDAT
FDA SRS TN4DXU3BNP
PubChem 83099
ChemSpider 74969.0