Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FM4SP2JF4Q
EPA CompTox DTXSID70161935

Structure

InChI Key BZMGMGOJSGJEAY-UHFFFAOYSA-N
Smiles CCCCCCCCCCCNCCO
InChI
InChI=1S/C13H29NO/c1-2-3-4-5-6-7-8-9-10-11-14-12-13-15/h14-15H,2-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H29N1O1
Molecular Weight 215.22
AlogP 3.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 32.26
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 14206-60-1
NORMAN SUSDAT
FDA SRS FM4SP2JF4Q
PubChem 84259
ChemSpider 76016.0