1-[4-[2-(Hexahydro-1H-Azepin-1-Yl)-2-Oxoethyl]Piperazin-1-Yl]-3-(4-Hydroxy-3,5-Dimethoxyphenyl)-2-Propen-1-One
[CAS# 57061-77-5]

Identification

• Name: 1-[4-[2-(Hexahydro-1H-Azepin-1-Yl)-2-Oxoethyl]Piperazin-1-Yl]-3-(4-Hydroxy-3,5-Dimethoxyphenyl)-2-Propen-1-One
• Synonyms: (E)-1-[4-[2-(Azepan-1-Yl)-2-Oxo-Ethyl]Piperazin-1-Yl]-3-(4-Hydroxy-3,5-Dimethoxy-Phenyl)Prop-2-En-1-One; (E)-1-[4-[2-(1-Azepanyl)-2-Oxoethyl]-1-Piperazinyl]-3-(4-Hydroxy-3,5-Dimethoxyphenyl)Prop-2-En-1-One; (E)-1-[4-[2-(Azepan-1-Yl)-2-Keto-Ethyl]Piperazin-1-Yl]-3-(4-Hydroxy-3,5-Dimethoxy-Phenyl)Prop-2-En-1-One
• Molecular Formula: C₂₃H₃₃N₃O₅
• Molecular Weight: 431.53
• CAS Registry Number: 57061-77-5
• SMILES: C1=C(C=C(OC)C(=C1OC)O)\C=C\C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3
• InChI: 1S/C23H33N3O5/c1-30-19-15-18(16-20(31-2)23(19)29)7-8-21(27)26-13-11-24(12-14-26)17-22(28)25-9-5-3-4-6-10-25/h7-8,15-16,29H,3-6,9-14,17H2,1-2H3/b8-7+
• InChIKey: WXBSCAIHDQWKBV-BQYQJAHWSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 660.188°C at 760 mmHg (Cal.)
• Flash point: 353.069°C (Cal.)