Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JZS5Q23KLF
EPA CompTox DTXSID90216476

Structure

InChI Key SQGBZKZDUMBTIJ-UHFFFAOYSA-N
Smiles C=CCNC1CCCCC1
InChI
InChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17N1
Molecular Weight 139.14
AlogP 2.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6628-00-8
NORMAN SUSDAT
FDA SRS JZS5Q23KLF
PubChem 81115
ChemSpider 73182.0