2-[4-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-1-Piperazinyl]Ethyl 3,4,5-Trimethoxybenzoate
[CAS# 67031-63-4]

Identification

• Name: 2-[4-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-1-Piperazinyl]Ethyl 3,4,5-Trimethoxybenzoate
• Synonyms: 3,4,5-Trimethoxybenzoic Acid 2-[4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]-1-Piperazinyl]Ethyl Ester; 3,4,5-Trimethoxybenzoic Acid 2-[4-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Piperazin-1-Yl]Ethyl Ester; 3,4,5-Trimethoxybenzoic Acid, (2-(4-Farnesyl-1-Piperazinyl)Ethyl)Ester
• Molecular Formula: C₃₁H₄₈N₂O₅
• Molecular Weight: 528.73
• CAS Registry Number: 67031-63-4
• SMILES: C1=C(C=C(OC)C(=C1OC)OC)C(OCCN2CCN(CC2)C\C=C(\CC\C=C(\CCC=C(C)C)C)C)=O
• InChI: 1S/C31H48N2O5/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-32-16-18-33(19-17-32)20-21-38-31(34)27-22-28(35-5)30(37-7)29(23-27)36-6/h10,12,14,22-23H,8-9,11,13,15-21H2,1-7H3/b25-12+,26-14+
• InChIKey: SJPHNVRIVFJQPR-MGSBAHLOSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 588.921°C at 760 mmHg (Cal.)
• Flash point: 309.968°C (Cal.)