4-[5-(3-Furanyl)-4-(4-methylphenyl)-2-pyrimidinyl]-N,N-dimethyl-1-piperazinee...
C23H29N5O
1269199-96-3 Copyright (C) 2024 ACS
 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    7.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044    7.2418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044    8.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    4.9318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.6217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5943    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8402    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5637    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.9318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    7.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    6.4718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <cas.rn>
1269199-96-3

> <cas.index.name>
1-Piperazineethanamine, 4-[5-(3-furanyl)-4-(4-methylphenyl)-2-pyrimidinyl]-N,N-dimethyl-

> <molecular.formula>
C23H29N5O

> <molecular.weight>
391.51

> <boiling.point.predicted>
536.756±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.129±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.500±0.28    Most Basic Temp: 25 °C

$$$$
