Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SFH9ZX5N5Q
EPA CompTox DTXSID6063515

Structure

InChI Key WXVKGHVDWWXBJX-UHFFFAOYSA-N
Smiles N#CCCN1CCOCC1
InChI
InChI=1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12N2O1
Molecular Weight 140.09
AlogP 0.23
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 36.26
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4542-47-6
NORMAN SUSDAT
FDA SRS SFH9ZX5N5Q
PubChem 78298
ChemSpider 70670.0