Citalopram
C20H21FN2O
59729-33-8 Copyright (C) 2024 ACS
 24 26  0  0  0  0  0  0  0  0999 V2000
    4.6200    6.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    7.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    7.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    8.7938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   10.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2865    5.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8266    5.8062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5162    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601    6.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6665    5.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9991    7.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4365    7.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4365    4.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    8.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9765    7.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9765    4.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7465    5.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9991    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    3.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2450    3.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6771    1.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  3  0  0  0  0
  7 18  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <cas.rn>
59729-33-8

> <cas.index.name>
5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-

> <molecular.formula>
C20H21FN2O

> <molecular.weight>
324.39

> <melting.point.experimental>
156-157 °C

> <boiling.point.experimental>
175-181 °C    Press: 0.03 Torr

> <density.predicted>
1.190±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.567±0.28    Most Basic Temp: 25 °C

$$$$
