3,4,5-Trimethoxybenzoic Acid 4-[N-Ethyl-N-[2-(1H-Pyrrol-2-Yl)Ethyl]Amino]Butyl Ester
[CAS# 67466-27-7]

Identification

• Name: 3,4,5-Trimethoxybenzoic Acid 4-[N-Ethyl-N-[2-(1H-Pyrrol-2-Yl)Ethyl]Amino]Butyl Ester
• Synonyms: 3,4,5-Trimethoxybenzoic Acid 4-[Ethyl-[2-(1H-Pyrrol-2-Yl)Ethyl]Amino]Butyl Ester; Benzoic Acid, 3,4,5-Trimethoxy-, 4-(N-Ethyl-N-Pyrrol-3-Ylethylamino)Butyl Ester; Pyrrole, 2-(2-(N-Ethyl-N-(4-Hydroxybutyl)Amino)Ethyl)-, 3,4,5-Trimethoxybenzoate (Ester)
• Molecular Formula: C₂₂H₃₂N₂O₅
• Molecular Weight: 404.51
• CAS Registry Number: 67466-27-7
• SMILES: C1=C(C(=C(C=C1C(=O)OCCCCN(CCC2=CC=C[NH]2)CC)OC)OC)OC
• InChI: 1S/C22H32N2O5/c1-5-24(13-10-18-9-8-11-23-18)12-6-7-14-29-22(25)17-15-19(26-2)21(28-4)20(16-17)27-3/h8-9,11,15-16,23H,5-7,10,12-14H2,1-4H3
• InChIKey: UZYMIYBJQULKDQ-UHFFFAOYSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 518.839°C at 760 mmHg (Cal.)
• Flash point: 267.584°C (Cal.)