Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AFI1E104OF
EPA CompTox DTXSID20208844

Structure

InChI Key AUIKJTGFPFLMFP-UHFFFAOYSA-N
Smiles CC(C)N(N=O)C(C)C
InChI
InChI=1S/C6H14N2O/c1-5(2)8(7-9)6(3)4/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2O1
Molecular Weight 130.11
AlogP 1.79
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 32.67
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 601-77-4
NORMAN SUSDAT
FDA SRS AFI1E104OF
PubChem 11758
ChemSpider 11265.0