Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HE0JPO6GS5
EPA CompTox DTXSID9063900

Structure

InChI Key HSOHBWMXECKEKV-UHFFFAOYSA-N
Smiles NC1CCCCCCC1
InChI
InChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N1
Molecular Weight 127.14
AlogP 2.06
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5452-37-9
NORMAN SUSDAT
FDA SRS HE0JPO6GS5
PubChem 2903
ChemSpider 2800.0