Marvin  02100914192D          

 20 21  0  0  0  0            999 V2000
   -2.8286    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5430    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5430    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8286   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2575    1.5911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7438    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7438    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582    1.5911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996   -0.8839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582    2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2575    2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9720    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
> <ID>
CHEBI:51874

> <NAME>
auramine O free base

> <DEFINITION>
A member of the class of imines that is benzophenone imine carrying two dimethylamino substituents at positions 4 and 4'. The hydrochloride salt is the biological stain 'auramine O'

> <STAR>
3

> <SYNONYM>
Yellow pyoctanine; Tetramethyl-p-diamino-imido-benzophenone; CI Basic Yellow 2, free base; C.I. Solvent Yellow 34; C.I. 41000B; Brilliant Oil Yellow; Bis(p-dimethylaminophenyl)methyleneimine; Auramine (free base); auramine; Apyonine auramine base; 4,4'-Dimethylaminobenzophenonimide; 4,4'-(Imidocarbonyl)bis(N,N-dimethylaniline)

> <IUPAC_NAME>
4,4'-carbonimidoylbis(N,N-dimethylaniline)

> <FORMULA>
C17H21N3

> <MASS>
267.36886

> <MONOISOTOPIC_MASS>
267.17355

> <CHARGE>
0

> <SMILES>
CN(C)c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C

> <INCHI>
InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3

> <INCHIKEY>
JPIYZTWMUGTEHX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
492-80-8

> <REAXYS_REGISTRY_NUMBER>
2215338

> <CHEMIDPLUS>
492-80-8

> <KEGG_COMPOUND_ACCESSION>
C19193

$$$$