Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5I6MJ5HVZE
EPA CompTox DTXSID7029401

Structure

InChI Key JPMXTFALJXQHJL-UHFFFAOYSA-N
Smiles CCCCN(CO)CCCC
InChI
InChI=1S/C9H21NO/c1-3-5-7-10(9-11)8-6-4-2/h11H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1O1
Molecular Weight 159.16
AlogP 1.84
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 23.47
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 67953-77-9
NORMAN SUSDAT
FDA SRS 5I6MJ5HVZE
PubChem 106249
ChemSpider 95694.0