Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4302E40S4N
EPA CompTox DTXSID40858729

Structure

InChI Key IQRUSQUYPCHEKN-UHFFFAOYSA-N
Smiles IC(C)CC
InChI
InChI=1/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9I
Molecular Weight 183.97
AlogP 2.22
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 513-48-4
NORMAN SUSDAT
FDA SRS 4302E40S4N
PubChem 10559