N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
C19H18N4O3
853220-52-7 Copyright (C) 2024 ACS
 26 29  0  0  0  0  0  0  0  0999 V2000
    7.7048    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3710    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0406    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3744    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7058    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3721    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7058    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0396    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7070    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3733    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7070    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    4.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    6.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
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 14 16  2  0  0  0  0
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 16 17  1  0  0  0  0
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M  END
> <cas.rn>
853220-52-7

> <cas.index.name>
2,4-Pyrimidinediamine, N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-

> <molecular.formula>
C19H18N4O3

> <molecular.weight>
350.37

> <boiling.point.predicted>
623.406±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.354±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
5.807±0.10    Most Basic Temp: 25 °C

$$$$
