4-Pyridinecarboxylic acid, 3-[[[(4R)-3,4-dihydro-7-[methyl[4-(1-methylethyl)p...
C26H29N3O3
1851412-93-5 Copyright (C) 2024 ACS
 32 35  0  0  1  0  0  0  0  0999 V2000
   11.5500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.6684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7100    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4700    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1700    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    1.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 13  1  1  1  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
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 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
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 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <cas.rn>
1851412-93-5

> <cas.index.name>
4-Pyridinecarboxylic acid, 3-[[[(4R)-3,4-dihydro-7-[methyl[4-(1-methylethyl)phenyl]amino]-2H-1-benzopyran-4-yl]methyl]amino]-

> <molecular.formula>
C26H29N3O3

> <molecular.weight>
431.53

> <boiling.point.predicted>
692.513±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.224±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.547±0.36    Most Acidic Temp: 25 °C

$$$$
