7-[3-(Dimethylamino)propoxy]-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6-me...
C26H43N7O2
1197196-48-7 Copyright (C) 2024 ACS
 35 38  0  0  0  0  0  0  0  0999 V2000
    5.3348    9.3812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359   13.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   14.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034   11.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707   11.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0044   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382   11.6912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382   13.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    8.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    8.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    7.0712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    7.0712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359   11.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6696   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    8.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    9.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    7.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    8.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    7.0712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    4.7611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3897    4.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147    4.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7325    2.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2720    2.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7723    1.3876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2322    1.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 28  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 29  1  0  0  0  0
 23 24  1  0  0  0  0
 23 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 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <cas.rn>
1197196-48-7

> <cas.index.name>
4-Quinazolinamine, 7-[3-(dimethylamino)propoxy]-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6-methoxy-N-(1-methyl-4-piperidinyl)-

> <molecular.formula>
C26H43N7O2

> <molecular.weight>
485.67

> <boiling.point.predicted>
641.042±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.142±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.192±0.28    Most Basic Temp: 25 °C

$$$$
