Marvin  12250713332D          

 10 10  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  2  1  2  0  0  0  0
  1  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:17735

> <NAME>
N,N-dimethylaniline N-oxide

> <DEFINITION>
A member of the class of dimethylanilines that is N,N-dimethylaniline in which the tertiary amino group has been oxidised to give the corresponding N-oxide.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7075; CHEBI:12424; CHEBI:21453

> <SYNONYM>
N,N-dimethylaniline N-oxide; N,N-Dimethylaniline N-oxide; dimethylaniline N-oxide; dimethyl(phenyl)amine oxide

> <IUPAC_NAME>
N,N-dimethylaniline N-oxide

> <FORMULA>
C8H11NO

> <MASS>
137.17908

> <MONOISOTOPIC_MASS>
137.08406

> <CHARGE>
0

> <SMILES>
CN(C)(=O)c1ccccc1

> <INCHI>
InChI=1S/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3

> <INCHIKEY>
LKQUDAOAMBKKQW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
874-52-2

> <CHEMIDPLUS>
874-52-2

> <KEGG_COMPOUND_ACCESSION>
C01183

> <METACYC_ACCESSION>
NN-DIMETHYLANILINE-N-OXIDE

> <PUBMED_CITATION>
13201; 2750202; 4260498; 6030897; 6719937

$$$$