Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6B5B8RPT7L
EPA CompTox DTXSID5062843

Structure

InChI Key YZICFVIUVMCCOC-UHFFFAOYSA-N
Smiles N#CCC[NH+]1CCCCC1
InChI
InChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14N2
Molecular Weight 138.12
AlogP 1.39
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 27.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3088-41-3
NORMAN SUSDAT
FDA SRS 6B5B8RPT7L
PubChem 18338
ChemSpider 17157.0