Epinastine
C16H15N3
80012-43-7 Copyright (C) 2024 ACS
 19 22  0  0  0  0  0  0  0  0999 V2000
    2.4113    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    2.3237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3728    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0410    4.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1626    1.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    2.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495    0.1846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3728    5.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5767    3.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    5.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    5.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2402    6.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4441    5.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7759    6.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <cas.rn>
80012-43-7

> <cas.index.name>
1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-

> <molecular.formula>
C16H15N3

> <molecular.weight>
249.31

> <melting.point.experimental>
205-208 °C

> <boiling.point.predicted>
428.032±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.323±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.977±0.20    Most Basic Temp: 25 °C

$$$$
