Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WWC2S3YAZ8
EPA CompTox DTXSID5063499

Structure

InChI Key HHPDFYDITNAMAM-UHFFFAOYSA-N
Smiles OCCN(CCO)C1CCCCC1
InChI
InChI=1S/C10H21NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h10,12-13H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N1O2
Molecular Weight 187.16
AlogP 0.61
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 43.7
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 4500-29-2
NORMAN SUSDAT
FDA SRS WWC2S3YAZ8
PubChem 20587
ChemSpider 19386.0