(2S)-2-Amino-2-cyclopropyl-1-(3,3-diphenyl-1-piperidinyl)ethanone
C22H26N2O
1497439-74-3 Copyright (C) 2024 ACS
 25 28  0  0  1  0  0  0  0  0999 V2000
    8.5509    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8845    4.3413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5509    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8846    5.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498    4.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5498    5.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2172    4.3413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2172    5.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332    4.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0434    3.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    6.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267    3.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    6.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0231    2.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    2.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0130    1.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798    1.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4863    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9697    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2183    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7583    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9883    2.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  1  0  0  0
  2 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
1497439-74-3

> <cas.index.name>
Ethanone, 2-amino-2-cyclopropyl-1-(3,3-diphenyl-1-piperidinyl)-, (2S)-

> <molecular.formula>
C22H26N2O

> <molecular.weight>
334.46

> <boiling.point.predicted>
509.742±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.167±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.822±0.50    Most Basic Temp: 25 °C

$$$$
