Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2T7Q0CK9IF
EPA CompTox DTXSID50182047

Structure

InChI Key FSBLVBBRXSCOKU-UHFFFAOYSA-N
Smiles [C-]#[N+]CCCC
InChI
InChI=1/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N
Molecular Weight 83.07
AlogP 1.71
Number of Rotational Bond 2.0
Polar Surface Area 4.36
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 2769-64-4
NORMAN SUSDAT
FDA SRS 2T7Q0CK9IF
PubChem 76008