Marvin  03060614032D          

  9  9  0  0  0  0            999 V2000
   -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
    0.7145   -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    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  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
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:16269

> <NAME>
N,N-dimethylaniline

> <DEFINITION>
A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7074; CHEBI:21452; CHEBI:12423

> <SYNONYM>
N,N-Dimethylphenylamine; N,N-Dimethylbenzeneamine; N,N-Dimethylbenzenamine; N,N-dimethylaniline; N,N-Dimethylaniline; N,N-Dimethyl-N-phenylamine; Dimethylphenylamine; Dimethylaniline; Dimethylaminobenzene

> <FORMULA>
C8H11N

> <MASS>
121.17968

> <MONOISOTOPIC_MASS>
121.08915

> <CHARGE>
0

> <SMILES>
CN(C)c1ccccc1

> <INCHI>
InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3

> <INCHIKEY>
JLTDJTHDQAWBAV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
121-69-7

> <REAXYS_REGISTRY_NUMBER>
507140

> <CHEMIDPLUS>
121-69-7

> <KEGG_COMPOUND_ACCESSION>
C02846

> <METACYC_ACCESSION>
NN-DIMETHYLANILINE

> <NIST_CHEMISTRY_WEBBOOK>
121-69-7

> <WIKIPEDIA_ACCESSION>
Dimethylaniline

> <PUBMED_CITATION>
24315030

$$$$