(±)-Mephenytoin
C12H14N2O2
50-12-4 Copyright (C) 2025 ACS
 16 17  0  0  0  0  0  0  0  0999 V2000
    3.9689    5.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7229    6.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    5.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8078    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3015    3.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    2.1327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5315    2.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    1.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3478    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1178    4.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1178    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578    4.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4278    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <cas.rn>
50-12-4

> <cas.index.name>
2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-

> <molecular.formula>
C12H14N2O2

> <molecular.weight>
218.25

> <melting.point.experimental>
136-137 °C

> <density.predicted>
1.155±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.075±0.70    Most Acidic Temp: 25 °C

$$$$
