Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WKA3K9F7DL
EPA CompTox DTXSID50197111

Structure

InChI Key GQOIKWAYFXTZOK-UHFFFAOYSA-N
Smiles NCC1CCCCCCC1
InChI
InChI=1/C9H19N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19N
Molecular Weight 141.15
AlogP 2.31
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4734-81-0
NORMAN SUSDAT
FDA SRS WKA3K9F7DL
PubChem 78473