5-Chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-(9-methyl-3,9-diaz...
C29H38ClN6O2P
1854943-32-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  39 43 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 22.8941 4.0012 0.0 0
M  V30 2 O 10.5739 1.3337 0.0 0
M  V30 3 C 11.3439 0.0000 0.0 0
M  V30 4 N 9.0338 4.0012 0.0 0
M  V30 5 N 4.4137 6.6685 0.0 0
M  V30 6 Cl 5.9538 9.3360 0.0 0
M  V30 7 P 1.3337 6.6685 0.0 0 VAL=5
M  V30 8 C 0.5637 8.0023 0.0 0
M  V30 9 C 2.6673 7.4385 0.0 0
M  V30 10 O 0.0000 5.8985 0.0 0
M  V30 11 C 18.2740 4.0012 0.0 0
M  V30 12 C 17.5040 5.3348 0.0 0
M  V30 13 C 17.5040 2.6675 0.0 0
M  V30 14 C 19.0441 2.6675 0.0 0
M  V30 15 C 19.0441 5.3348 0.0 0
M  V30 16 C 15.9640 5.3348 0.0 0
M  V30 17 C 15.9640 2.6675 0.0 0
M  V30 18 C 20.5841 2.6675 0.0 0
M  V30 19 C 20.5841 5.3348 0.0 0
M  V30 20 N 15.1940 4.0012 0.0 0
M  V30 21 N 21.3541 4.0012 0.0 0
M  V30 22 C 13.6539 4.0012 0.0 0
M  V30 23 C 12.8839 2.6675 0.0 0
M  V30 24 C 12.8839 5.3348 0.0 0
M  V30 25 C 11.3439 2.6675 0.0 0
M  V30 26 C 11.3439 5.3348 0.0 0
M  V30 27 C 10.5739 4.0012 0.0 0
M  V30 28 C 8.2638 5.3348 0.0 0
M  V30 29 N 6.7238 5.3348 0.0 0
M  V30 30 N 9.0338 6.6685 0.0 0
M  V30 31 C 5.9538 6.6685 0.0 0
M  V30 32 C 8.2638 8.0023 0.0 0
M  V30 33 C 6.7238 8.0023 0.0 0
M  V30 34 C 3.6437 5.3348 0.0 0
M  V30 35 C 2.1037 5.3348 0.0 0
M  V30 36 C 4.4137 4.0012 0.0 0
M  V30 37 C 1.3337 4.0012 0.0 0
M  V30 38 C 3.6437 2.6675 0.0 0
M  V30 39 C 2.1037 2.6675 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 21
M  V30 2 1 2 3
M  V30 3 1 2 25
M  V30 4 1 4 27
M  V30 5 1 4 28
M  V30 6 1 5 31
M  V30 7 1 5 34
M  V30 8 1 6 33
M  V30 9 1 7 8
M  V30 10 1 7 9
M  V30 11 2 7 10
M  V30 12 1 7 35
M  V30 13 1 11 12
M  V30 14 1 11 13
M  V30 15 1 11 14
M  V30 16 1 11 15
M  V30 17 1 12 16
M  V30 18 1 13 17
M  V30 19 1 14 18
M  V30 20 1 15 19
M  V30 21 1 16 20
M  V30 22 1 17 20
M  V30 23 1 18 21
M  V30 24 1 19 21
M  V30 25 1 20 22
M  V30 26 2 22 23
M  V30 27 1 22 24
M  V30 28 1 23 25
M  V30 29 2 24 26
M  V30 30 2 25 27
M  V30 31 1 26 27
M  V30 32 1 28 29
M  V30 33 2 28 30
M  V30 34 2 29 31
M  V30 35 1 30 32
M  V30 36 1 31 33
M  V30 37 2 32 33
M  V30 38 2 34 35
M  V30 39 1 34 36
M  V30 40 1 35 37
M  V30 41 2 36 38
M  V30 42 2 37 39
M  V30 43 1 38 39
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1854943-32-0

> <cas.index.name>
2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undec-3-yl)phenyl]-

> <molecular.formula>
C29H38ClN6O2P

> <molecular.weight>
569.08

> <boiling.point.predicted>
769.1±70.0 °C    Press: 760 Torr

> <density.predicted>
1.30±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.12±0.20    Most Basic Temp: 25 °C

$$$$
