Marvin  07230714352D          

 13 14  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -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
  2  1  2  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  1  7  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 12 11  1  0  0  0  0
  3 13  1  0  0  0  0
 13  7  2  0  0  0  0
M  END
> <ID>
CHEBI:4640

> <NAME>
diphenylamine

> <DEFINITION>
An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.

> <STAR>
3

> <SYNONYM>
N-phenylbenzenamine; N,N-diphenylamine; DPA; Diphenylamine; C6H5-NH-C6H5; anilinobenzene; (phenylamino)benzene

> <IUPAC_NAME>
N-phenylaniline

> <FORMULA>
C12H11N

> <MASS>
169.22248

> <MONOISOTOPIC_MASS>
169.08915

> <CHARGE>
0

> <SMILES>
N(c1ccccc1)c1ccccc1

> <INCHI>
InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

> <INCHIKEY>
DMBHHRLKUKUOEG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
508755

> <CAS_REGISTRY_NUMBER>
122-39-4

> <GMELIN_REGISTRY_NUMBER>
67833

> <REAXYS_REGISTRY_NUMBER>
508755

> <CHEMIDPLUS>
122-39-4

> <KEGG_COMPOUND_ACCESSION>
C11016

> <METACYC_ACCESSION>
CPD-9937

> <NIST_CHEMISTRY_WEBBOOK>
122-39-4

> <PESTICIDES_ACCESSION>
diphenylamine

> <WIKIPEDIA_ACCESSION>
Diphenylamine

> <PUBMED_CITATION>
16172927; 16336182; 23200380; 23311914; 6446435; 8192920

$$$$