Verapamil
C27H38N2O4
52-53-9 Copyright (C) 2024 ACS
 33 34  0  0  0  0  0  0  0  0999 V2000
    5.3901    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    5.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0563    7.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0575    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    8.2085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3911    5.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0586    5.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7249    8.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3923    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7271    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7271    8.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7271    3.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7271    2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7261    5.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0598    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7261    4.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3934    5.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0598    3.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3934    4.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 22  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  3  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <cas.rn>
52-53-9

> <cas.index.name>
Benzeneacetonitrile, α-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-α-(1-methylethyl)-

> <molecular.formula>
C27H38N2O4

> <molecular.weight>
454.60

> <melting.point.experimental>
<25 °C

> <boiling.point.experimental>
243-246 °C    Press: 1 x 10-3 Torr

> <density.predicted>
1.059±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.970±0.50    Most Basic Temp: 25 °C

$$$$
