2-Cyano-3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-N-octyl-2-propenamide
C25H36N4O
1128165-88-7 Copyright (C) 2025 ACS
 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
> <cas.rn>
1128165-88-7

> <ca.index.name>
2-Propenamide, 2-cyano-3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-N-octyl-

> <molecular.formula>
C25H36N4O

> <smiles.canonical>
N#CC(=CC1=CN(C=2C=CC=CC12)CCCN(C)C)C(=O)NCCCCCCCC

> <molecular.weight>
408.58

> <melting.point.experimental>
105-106 °C    Solvent: Ethanol

> <boiling.point.predicted>
613.473±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.033±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.110±0.46    Most Acidic Temp: 25 °C

$$$$
