3-Methylbutyl 8-[3-hydroxy-2-({4-[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]-1-piperazinyl}methyl)propoxy]-2,3-dihydro-1,4-benzodioxine-5-carboxylate hydrochloride (1:1)
[CAS# 86580-12-3]

Identification

• Name: 3-Methylbutyl 8-[3-hydroxy-2-({4-[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]-1-piperazinyl}methyl)propoxy]-2,3-dihydro-1,4-benzodioxine-5-carboxylate hydrochloride (1:1)
• Molecular Formula: C₃₄H₄₇ClN₂O₁₀
• Molecular Weight: 679.20
• CAS Registry Number: 86580-12-3
• SMILES: Cl.O=C(\C=C\c1cc(OC)c(OC)c(OC)c1)N2CCN(CC2)CC(CO)COc3ccc(c4OCCOc34)C(=O)OCCC(C)C
• InChI: 1S/C34H46N2O10.ClH/c1-23(2)10-15-45-34(39)26-7-8-27(33-31(26)43-16-17-44-33)46-22-25(21-37)20-35-11-13-36(14-12-35)30(38)9-6-24-18-28(40-3)32(42-5)29(19-24)41-4;/h6-9,18-19,23,25,37H,10-17,20-22H2,1-5H3;1H/b9-6+
• InChIKey: YUOROCYDRJMIHS-MLBSPLJJSA-N

Properties

• Boiling point: 816.8°C at 760 mmHg (Cal.)
• Flash point: 447.8°C (Cal.)