Cyproheptadine
C21H21N
129-03-3 Copyright (C) 2024 ACS
 22 25  0  0  0  0  0  0  0  0999 V2000
    9.5335    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053    2.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053    5.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    2.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7528    1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7528    6.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501    7.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    8.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975    8.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9135    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6835    5.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6835    2.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2235    5.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2235    2.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9935    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <cas.rn>
129-03-3

> <cas.index.name>
Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-

> <molecular.formula>
C21H21N

> <molecular.weight>
287.40

> <melting.point.experimental>
112.3-113.3 °C

> <boiling.point.predicted>
440.149±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.116±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.947±0.20    Most Basic Temp: 25 °C

$$$$
