Marvin  08281314582D          

 22 24  0  0  0  0            999 V2000
   11.0220  -12.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220  -13.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075  -12.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075  -13.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5930  -12.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5930  -13.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7365  -13.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7365  -14.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4510  -13.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799  -12.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799  -13.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1654  -12.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1654  -13.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4510  -12.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4510  -15.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4510  -15.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7365  -16.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220  -15.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220  -15.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7365  -17.0765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5944  -12.1265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8786  -12.1265    0.0000 N   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
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 16 15  2  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  2  0  0  0  0
  8 15  1  0  0  0  0
 17 20  2  0  0  0  0
 17 16  1  0  0  0  0
 10 21  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
> <ID>
CHEBI:75372

> <NAME>
pararosaniline free base

> <DEFINITION>
An imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-aminophenyl groups. The hydrochloride salt is the histological dye 'pararosaniline'.

> <STAR>
3

> <SYNONYM>
pararosaniline; Basic Red 9; basic fuchsin; 4-(4,4'-diamino-benzhydrylidene)-cyclohexa-2,5-dienone-imine

> <IUPAC_NAME>
4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline

> <FORMULA>
C19H17N3

> <MASS>
287.35840

> <MONOISOTOPIC_MASS>
287.14225

> <CHARGE>
0

> <SMILES>
Nc1ccc(cc1)C(c1ccc(N)cc1)=C1C=CC(=N)C=C1

> <INCHI>
InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2

> <INCHIKEY>
AFAIELJLZYUNPW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
479-73-2

> <REAXYS_REGISTRY_NUMBER>
2126685

> <CHEMIDPLUS>
479-73-2

> <WIKIPEDIA_ACCESSION>
Pararosaniline

$$$$