2,2,6,6-TETRAMETHYL-1-NITROSO-4-PIPERIDONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D7YS9ZVN77
EPA CompTox DTXSID90213985

Structure

InChI Key PBOJDTWOZVDRPH-UHFFFAOYSA-N
Smiles CC1(C)CC(=O)CC(C)(C)N1N=O
InChI
InChI=1S/C9H16N2O2/c1-8(2)5-7(12)6-9(3,4)11(8)10-13/h5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N2O2
Molecular Weight 184.12
AlogP 1.89
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 49.74
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 640-01-7
NORMAN SUSDAT
FDA SRS D7YS9ZVN77
PubChem 69496
ChemSpider 62702.0
CONTENTS