4-[[1-[(2,4,6-Trimethylphenyl)sulfonyl]-4-piperidinyl]amino]-2-butanol
C18H30N2O3S
1678515-93-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  24 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 6.1600 4.0011 0.0 0 VAL=6
M  V30 2 O 6.1600 5.5411 0.0 0
M  V30 3 O 6.1600 2.4611 0.0 0
M  V30 4 C 4.6200 6.6685 0.0 0
M  V30 5 C 4.6200 1.3338 0.0 0
M  V30 6 C 0.0000 4.0011 0.0 0
M  V30 7 N 12.3200 4.0011 0.0 0
M  V30 8 C 13.0900 2.6674 0.0 0
M  V30 9 C 14.6300 2.6674 0.0 0
M  V30 10 C 15.4000 1.3338 0.0 0
M  V30 11 C 16.9400 1.3338 0.0 0
M  V30 12 O 14.6300 0.0000 0.0 0
M  V30 13 C 4.6200 4.0011 0.0 0
M  V30 14 C 3.8500 5.3347 0.0 0
M  V30 15 C 3.8500 2.6674 0.0 0
M  V30 16 C 2.3100 5.3347 0.0 0
M  V30 17 C 2.3100 2.6674 0.0 0
M  V30 18 C 1.5400 4.0011 0.0 0
M  V30 19 N 7.7000 4.0011 0.0 0
M  V30 20 C 8.4700 2.6674 0.0 0
M  V30 21 C 8.4700 5.3347 0.0 0
M  V30 22 C 10.0100 2.6674 0.0 0
M  V30 23 C 10.0100 5.3347 0.0 0
M  V30 24 C 10.7800 4.0011 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 13
M  V30 4 1 1 19
M  V30 5 1 4 14
M  V30 6 1 5 15
M  V30 7 1 6 18
M  V30 8 1 7 8
M  V30 9 1 7 24
M  V30 10 1 8 9
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 1 10 12
M  V30 14 2 13 14
M  V30 15 1 13 15
M  V30 16 1 14 16
M  V30 17 2 15 17
M  V30 18 2 16 18
M  V30 19 1 17 18
M  V30 20 1 19 20
M  V30 21 1 19 21
M  V30 22 1 20 22
M  V30 23 1 21 23
M  V30 24 1 22 24
M  V30 25 1 23 24
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1678515-93-9

> <cas.index.name>
2-Butanol, 4-[[1-[(2,4,6-trimethylphenyl)sulfonyl]-4-piperidinyl]amino]-

> <molecular.formula>
C18H30N2O3S

> <molecular.weight>
354.51

> <boiling.point.predicted>
524.4±60.0 °C    Press: 760 Torr

> <density.predicted>
1.18±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
15.09±0.20    Most Acidic Temp: 25 °C

$$$$
