2-[2-(4-(2-Methoxyphenyl)Piperazin-1-Yl)Ethyl]-4,4-Dimethyl-1,3-(2H,4H)-Isoquinolindione Dihydrochloride
[CAS# 67339-62-2]

Identification

• Name: 2-[2-(4-(2-Methoxyphenyl)Piperazin-1-Yl)Ethyl]-4,4-Dimethyl-1,3-(2H,4H)-Isoquinolindione Dihydrochloride
• Synonyms: 2-[2-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Ethyl]-4,4-Dimethyl-Isoquinoline-1,3-Dione; 2-[2-[4-(2-Methoxyphenyl)-1-Piperazinyl]Ethyl]-4,4-Dimethylisoquinoline-1,3-Dione; 2-[2-[4-(2-Methoxyphenyl)Piperazin-1-Yl]Ethyl]-4,4-Dimethyl-Isoquinoline-1,3-Quinone
• Molecular Formula: C₂₄H₂₉N₃O₃
• Molecular Weight: 407.51
• CAS Registry Number: 67339-62-2
• SMILES: C1=C(C(=CC=C1)N2CCN(CC2)CCN4C(=O)C(C3=CC=CC=C3C4=O)(C)C)OC
• InChI: 1S/C24H29N3O3/c1-24(2)19-9-5-4-8-18(19)22(28)27(23(24)29)17-14-25-12-15-26(16-13-25)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3
• InChIKey: JFNKXGOEOQCXDM-UHFFFAOYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 595.772°C at 760 mmHg (Cal.)
• Flash point: 314.112°C (Cal.)

References

• (1): Laggner et al.. Chemical informatics and target identification in a zebrafish phenotypic screen, Nature Chemical Biology, 2011