3-[4-[6-[3-(Dimethylamino)propoxy]-2-benzoxazolyl]phenoxy]-N,N-dimethyl-1-pro...
C23H31N3O3
1219962-49-8 Copyright (C) 2024 ACS
 29 31  0  0  0  0  0  0  0  0999 V2000
   17.9209    5.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2546    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5882    5.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9220    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2557    5.5409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2557    7.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5893    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9198    3.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9198    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553    2.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2535    2.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553    5.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2535    5.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5501    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5873    3.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5873    4.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <cas.rn>
1219962-49-8

> <cas.index.name>
1-Propanamine, 3-[4-[6-[3-(dimethylamino)propoxy]-2-benzoxazolyl]phenoxy]-N,N-dimethyl-

> <molecular.formula>
C23H31N3O3

> <molecular.weight>
397.51

> <boiling.point.predicted>
509.811±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.106±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.297±0.28    Most Basic Temp: 25 °C

$$$$
