Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V35MDX4B7L
EPA CompTox DTXSID90206791

Structure

InChI Key OOSOCAXREAGIGA-UHFFFAOYSA-N
Smiles N#CCN1CCOCC1
InChI
InChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N2O1
Molecular Weight 126.08
AlogP -0.16
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 36.26
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5807-02-3
NORMAN SUSDAT
FDA SRS V35MDX4B7L
PubChem 22055
ChemSpider 20724.0