4-[[4-[[[(1R,2S)-2-Phenylcyclopropyl]amino]methyl]-1-piperidinyl]methyl]benzo...
C23H28N2O2
1401966-69-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 6.8749 2.3101 0.0 0
M  V30 2 C 8.2085 1.5400 0.0 0
M  V30 3 C 13.5435 4.6201 0.0 0
M  V30 4 C 18.8783 1.5400 0.0 0
M  V30 5 O 18.8783 0.0000 0.0 0
M  V30 6 O 20.2120 2.3101 0.0 0
M  V30 7 C 4.0012 1.5400 0.0 0 CFG=2
M  V30 8 C 5.5412 1.5400 0.0 0 CFG=2
M  V30 9 C 4.7712 0.2064 0.0 0
M  V30 10 C 2.6675 2.3101 0.0 0
M  V30 11 C 1.3337 1.5400 0.0 0
M  V30 12 C 2.6675 3.8501 0.0 0
M  V30 13 C 0.0000 2.3101 0.0 0
M  V30 14 C 1.3337 4.6201 0.0 0
M  V30 15 C 0.0000 3.8501 0.0 0
M  V30 16 C 9.5424 2.3101 0.0 0
M  V30 17 C 10.8760 1.5400 0.0 0
M  V30 18 C 9.5424 3.8501 0.0 0
M  V30 19 C 12.2097 2.3101 0.0 0
M  V30 20 C 10.8760 4.6201 0.0 0
M  V30 21 N 12.2097 3.8501 0.0 0
M  V30 22 C 14.8772 3.8501 0.0 0
M  V30 23 C 14.8772 2.3101 0.0 0
M  V30 24 C 16.2109 4.6201 0.0 0
M  V30 25 C 16.2109 1.5400 0.0 0
M  V30 26 C 17.5445 3.8501 0.0 0
M  V30 27 C 17.5445 2.3101 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 8 1 CFG=3
M  V30 3 1 2 16
M  V30 4 1 3 21
M  V30 5 1 3 22
M  V30 6 1 4 5
M  V30 7 2 4 6
M  V30 8 1 4 27
M  V30 9 1 7 8
M  V30 10 1 7 9
M  V30 11 1 7 10 CFG=1
M  V30 12 1 8 9
M  V30 13 2 10 11
M  V30 14 1 10 12
M  V30 15 1 11 13
M  V30 16 2 12 14
M  V30 17 2 13 15
M  V30 18 1 14 15
M  V30 19 1 16 17
M  V30 20 1 16 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 1 19 21
M  V30 24 1 20 21
M  V30 25 2 22 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 2 24 26
M  V30 29 2 25 27
M  V30 30 1 26 27
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 7 8)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1401966-69-5

> <cas.index.name>
Benzoic acid, 4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]-1-piperidinyl]methyl]-

> <molecular.formula>
C23H28N2O2

> <molecular.weight>
364.48

> <boiling.point.predicted>
534.2±50.0 °C    Press: 760 Torr

> <density.predicted>
1.20±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.03±0.10    Most Acidic Temp: 25 °C

$$$$
