Marvin  07311217362D          

  8  8  0  0  0  0            999 V2000
   -1.1196   -0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8341   -1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486   -1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486   -0.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8341   -0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4052   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8341    0.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <ID>
CHEBI:66892

> <NAME>
o-toluidine

> <DEFINITION>
An aminotoluene in which the amino substituent is ortho to the methyl group.

> <STAR>
3

> <SYNONYM>
o-Tolylamine; o-Toluidine; o-Methylbenzenamine; o-Methylaniline; o-Aminotoluene; 2-Toluidine; 2-Methylbenzenamine; 2-Methylbenzamine; 2-Methyl-1-aminobenzene; 2-Aminotoluene; 2-Aminotoluene; 2-Amino-1-methylbenzene; 1-Methyl-2-aminobenzene; 1-Amino-2-methylbenzene

> <IUPAC_NAME>
2-methylaniline

> <FORMULA>
C7H9N

> <MASS>
107.15310

> <MONOISOTOPIC_MASS>
107.07350

> <CHARGE>
0

> <SMILES>
Cc1ccccc1N

> <INCHI>
InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3

> <INCHIKEY>
RNVCVTLRINQCPJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
95-53-4

> <REAXYS_REGISTRY_NUMBER>
741981

> <CHEMIDPLUS>
95-53-4

> <KEGG_COMPOUND_ACCESSION>
C14403

> <NIST_CHEMISTRY_WEBBOOK>
95-53-4

> <PUBMED_CITATION>
21117897; 21320752; 21701861; 22004833; 22574454; 22708702; 22799188

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