Triparanol
C27H32ClNO2
78-41-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.6200 6.1600 0.0 0
M  V30 2 C 3.0800 6.1600 0.0 0
M  V30 3 O 4.6200 7.7000 0.0 0
M  V30 4 O 10.7800 6.1600 0.0 0
M  V30 5 C 11.5500 7.4938 0.0 0
M  V30 6 C 13.0900 7.4938 0.0 0
M  V30 7 N 13.8600 8.8274 0.0 0
M  V30 8 C 13.0900 10.1611 0.0 0
M  V30 9 C 15.4000 8.8274 0.0 0
M  V30 10 C 13.8600 11.4949 0.0 0
M  V30 11 C 16.1700 7.4938 0.0 0
M  V30 12 C 4.6200 0.0000 0.0 0
M  V30 13 Cl 0.0000 11.4949 0.0 0
M  V30 14 C 6.1600 6.1600 0.0 0
M  V30 15 C 6.9300 7.4938 0.0 0
M  V30 16 C 6.9300 4.8264 0.0 0
M  V30 17 C 8.4700 7.4938 0.0 0
M  V30 18 C 8.4700 4.8264 0.0 0
M  V30 19 C 9.2400 6.1600 0.0 0
M  V30 20 C 4.6200 4.6200 0.0 0
M  V30 21 C 3.2864 3.8500 0.0 0
M  V30 22 C 5.9536 3.8500 0.0 0
M  V30 23 C 3.2864 2.3100 0.0 0
M  V30 24 C 5.9536 2.3100 0.0 0
M  V30 25 C 4.6200 1.5400 0.0 0
M  V30 26 C 2.3100 7.4938 0.0 0
M  V30 27 C 3.0800 8.8274 0.0 0
M  V30 28 C 0.7700 7.4938 0.0 0
M  V30 29 C 2.3100 10.1611 0.0 0
M  V30 30 C 0.0000 8.8274 0.0 0
M  V30 31 C 0.7700 10.1611 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 14
M  V30 4 1 1 20
M  V30 5 1 2 26
M  V30 6 1 4 5
M  V30 7 1 4 19
M  V30 8 1 5 6
M  V30 9 1 6 7
M  V30 10 1 7 8
M  V30 11 1 7 9
M  V30 12 1 8 10
M  V30 13 1 9 11
M  V30 14 1 12 25
M  V30 15 1 13 31
M  V30 16 2 14 15
M  V30 17 1 14 16
M  V30 18 1 15 17
M  V30 19 2 16 18
M  V30 20 2 17 19
M  V30 21 1 18 19
M  V30 22 2 20 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 2 22 24
M  V30 26 2 23 25
M  V30 27 1 24 25
M  V30 28 2 26 27
M  V30 29 1 26 28
M  V30 30 1 27 29
M  V30 31 2 28 30
M  V30 32 2 29 31
M  V30 33 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
78-41-1

> <cas.index.name>
Benzeneethanol, 4-chloro-α-[4-[2-(diethylamino)ethoxy]phenyl]-α-(4-methylphenyl)-

> <molecular.formula>
C27H32ClNO2

> <molecular.weight>
438.00

> <melting.point.experimental>
103 °C

> <boiling.point.experimental>
235-240 °C    Press: 0.08 Torr

> <density.predicted>
1.133±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
13.44±0.29    Most Acidic Temp: 25 °C

$$$$
