Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q0P7S4167W
EPA CompTox DTXSID7041465

Structure

InChI Key VJMGCRKBPXGKAH-UHFFFAOYSA-N
Smiles CN1COCC1(C)C
InChI
InChI=1S/C6H13NO/c1-6(2)4-8-5-7(6)3/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O1
Molecular Weight 115.1
AlogP 0.68
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.47
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 75673-43-7
NORMAN SUSDAT
FDA SRS Q0P7S4167W
PubChem 62271
ChemSpider 56072.0