3-[5-[[(2R)-1-Ethyl-2-piperidinyl]methoxy]-1,3-dihydro-1-oxo-2H-isoindol-2-yl...
C21H27N3O4
2654011-51-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  28 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 11.2762 6.5604 0.0 0
M  V30 2 O 13.2456 1.1826 0.0 0
M  V30 3 O 17.8656 3.8500 0.0 0
M  V30 4 O 5.3347 2.3100 0.0 0
M  V30 5 C 4.0011 3.0800 0.0 0
M  V30 6 C 1.3336 4.6200 0.0 0
M  V30 7 C 0.0000 5.3900 0.0 0
M  V30 8 N 11.7056 3.8500 0.0 0
M  V30 9 C 10.8004 5.0959 0.0 0
M  V30 10 C 10.8004 2.6040 0.0 0
M  V30 11 C 9.3358 4.6200 0.0 0
M  V30 12 C 9.3358 3.0800 0.0 0
M  V30 13 C 8.0020 5.3900 0.0 0
M  V30 14 C 8.0020 2.3100 0.0 0
M  V30 15 C 6.6684 4.6200 0.0 0
M  V30 16 C 6.6684 3.0800 0.0 0
M  V30 17 C 13.2456 3.8500 0.0 0 CFG=3
M  V30 18 C 14.0156 2.5162 0.0 0
M  V30 19 C 14.0156 5.1837 0.0 0
M  V30 20 N 15.5556 2.5162 0.0 0
M  V30 21 C 15.5556 5.1837 0.0 0
M  V30 22 C 16.3256 3.8500 0.0 0
M  V30 23 C 2.6673 2.3100 0.0 0 CFG=1
M  V30 24 N 1.3336 3.0800 0.0 0
M  V30 25 C 2.6673 0.7700 0.0 0
M  V30 26 C 0.0000 2.3100 0.0 0
M  V30 27 C 1.3336 0.0000 0.0 0
M  V30 28 C 0.0000 0.7700 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 9
M  V30 2 2 2 18
M  V30 3 2 3 22
M  V30 4 1 4 5
M  V30 5 1 4 16
M  V30 6 1 23 5 CFG=1
M  V30 7 1 6 7
M  V30 8 1 6 24
M  V30 9 1 8 9
M  V30 10 1 8 10
M  V30 11 1 8 17
M  V30 12 1 9 11
M  V30 13 1 10 12
M  V30 14 1 11 12
M  V30 15 2 11 13
M  V30 16 2 12 14
M  V30 17 1 13 15
M  V30 18 1 14 16
M  V30 19 2 15 16
M  V30 20 1 17 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 1 21 22
M  V30 26 1 23 24
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 26 28
M  V30 31 1 27 28
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 23)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2654011-51-3

> <cas.index.name>
2,6-Piperidinedione, 3-[5-[[(2R)-1-ethyl-2-piperidinyl]methoxy]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-

> <molecular.formula>
C21H27N3O4

> <molecular.weight>
385.46

> <boiling.point.predicted>
636.4±55.0 °C    Press: 760 Torr

> <density.predicted>
1.242±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.75±0.40    Most Acidic Temp: 25 °C

$$$$
