Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MDE86CLL2B
EPA CompTox DTXSID80215074

Structure

InChI Key IGNTWNVBGLNYDV-UHFFFAOYSA-N
Smiles CC(C)P(C(C)C)C(C)C
InChI
InChI=1S/C9H21P/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21P1
Molecular Weight 160.14
AlogP 3.69
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6476-36-4
NORMAN SUSDAT
FDA SRS MDE86CLL2B
PubChem 80969
ChemSpider 73055.0