N-[2-(2-Pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]...
C24H27N5O2
1373423-53-0 Copyright (C) 2024 ACS
 31 34  0  0  0  0  0  0  0  0999 V2000
   10.9516    7.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2853    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6190    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1373423-53-0

> <cas.index.name>
β-Alanine, N-[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-, ethyl ester

> <molecular.formula>
C24H27N5O2

> <molecular.weight>
417.50

> <boiling.point.predicted>
581.244±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.217±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
5.947±0.10    Most Basic Temp: 25 °C

$$$$
