Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FD6DMX4LAT
EPA CompTox DTXSID3062491

Structure

InChI Key DNXIQMQGKSQHPC-UHFFFAOYSA-N
Smiles COC1=NCCCCC1
InChI
InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O1
Molecular Weight 127.1
AlogP 1.61
Hydrogen Bond Acceptor 2.0
Polar Surface Area 21.59
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2525-16-8
NORMAN SUSDAT
FDA SRS FD6DMX4LAT
PubChem 75657
ChemSpider 68177.0