Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TNE5L8R4J6
EPA CompTox DTXSID10143871

Structure

InChI Key GUQARRULARNYQZ-UHFFFAOYSA-N
Smiles CC1(CC([N+](=C1)[O-])(C)C)C
InChI
InChI=1S/C8H15NO/c1-7(2)5-8(3,4)9(10)6-7/h6H,5H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15N1O1
Molecular Weight 141.12
AlogP 1.78
Hydrogen Bond Acceptor 1.0
Polar Surface Area 26.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10135-38-3
NORMAN SUSDAT
FDA SRS TNE5L8R4J6
PubChem 151490
ChemSpider 133516.0