Phenol, 2-[6-amino-5-[8-[2-[4-(hexahydro-1H-azepin-1-yl)-1-butyn-1-yl]-4-pyri...
C31H37N7O
2901806-51-5 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
2901806-51-5

> <ca.index.name>
Phenol, 2-[6-amino-5-[8-[2-[4-(hexahydro-1H-azepin-1-yl)-1-butyn-1-yl]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]oct-3-yl]-3-pyridazinyl]-

> <molecular.formula>
C31H37N7O

> <smiles.canonical>
OC1=CC=CC=C1C=2N=NC(N)=C(C2)N3CC4N(C=5C=CN=C(C#CCCN6CCCCCC6)C5)C(C3)CC4

> <molecular.weight>
523.67

> <boiling.point.predicted>
798.592±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.330±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.274±0.30    Most Acidic Temp: 25 °C

$$$$
