Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PQ2U433BB7
EPA CompTox DTXSID5022275

Structure

InChI Key SDABKFFSTRDBBD-UHFFFAOYNA-N
Smiles CC(CN(C)C)C(=O)C
InChI
InChI=1S/C7H15NO/c1-6(7(2)9)5-8(3)4/h6H,5H2,1-4H3/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O1
Molecular Weight 129.12
AlogP 0.77
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 22104-62-7
NORMAN SUSDAT
FDA SRS PQ2U433BB7
ChemSpider 81919.0