(αS)-α-[[[5-(3-Methyl-1H-indazol-5-yl)-3-pyridinyl]oxy]methyl]benzeneethanamine
C22H22N4O
552325-73-2 Copyright (C) 2024 ACS
 27 30  0  0  1  0  0  0  0  0999 V2000
    0.4294    1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3719    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0394    3.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3730    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0394    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    2.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    5.0959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0383    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0383    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7067    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0403    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7067    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0403    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  5 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
552325-73-2

> <cas.index.name>
Benzeneethanamine, α-[[[5-(3-methyl-1H-indazol-5-yl)-3-pyridinyl]oxy]methyl]-, (αS)-

> <molecular.formula>
C22H22N4O

> <molecular.weight>
358.44

> <boiling.point.predicted>
624.406±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.229±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.140±0.10    Most Acidic Temp: 25 °C

$$$$
