Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ECK9QFC2DF
EPA CompTox DTXSID60217672

Structure

InChI Key CJYXCQLOZNIMFP-UHFFFAOYSA-N
Smiles O=C1CCCCCCN1
InChI
InChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13N1O1
Molecular Weight 127.1
AlogP 1.91
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 673-66-5
NORMAN SUSDAT
FDA SRS ECK9QFC2DF
PubChem 12657
ChemSpider 12136.0