Simetride
[CAS# 154-82-5]

Identification

• Name: Simetride
• Synonyms: 2-(2-Methoxy-4-Propyl-Phenoxy)-1-[4-[2-(2-Methoxy-4-Propyl-Phenoxy)Acetyl]Piperazin-1-Yl]Ethanone; 2-(2-Methoxy-4-Propylphenoxy)-1-[4-[2-(2-Methoxy-4-Propylphenoxy)-1-Oxoethyl]-1-Piperazinyl]Ethanone; 2-(2-Methoxy-4-Propyl-Phenoxy)-1-[4-[2-(2-Methoxy-4-Propyl-Phenoxy)Ethanoyl]Piperazin-1-Yl]Ethanone
• Molecular Formula: C₂₈H₃₈N₂O₆
• Molecular Weight: 498.62
• CAS Registry Number: 154-82-5
• SMILES: C1=CC(=CC(=C1OCC(N3CCN(C(COC2=CC=C(C=C2OC)CCC)=O)CC3)=O)OC)CCC
• InChI: 1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3
• InChIKey: IMOLVSPMDGCLMB-UHFFFAOYSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 682.618°C at 760 mmHg (Cal.)
• Flash point: 366.634°C (Cal.)