Benzoic acid, 3,4,5-trimethoxy-, 4-(N-ethyl-N-pyrrol-3-ylethylamino)butyl ester

Base Information

• Chemical Name: Benzoic acid, 3,4,5-trimethoxy-, 4-(N-ethyl-N-pyrrol-3-ylethylamino)butyl ester
• CAS No.: 67466-27-7
• Molecular Formula: C22H32N2O5
• Molecular Weight: 404.5
• DSSTox Substance ID: DTXSID10217829
• Nikkaji Number: J106.929B
• Wikidata: Q83094513
• Mol file: 67466-27-7.mol

Synonyms:67466-27-7;2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate;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);DTXSID10217829;C22H31N2O5;C22-H31-N2-O5;LS-136970;3,4,5-Trimethoxybenzoic acid 4-[N-ethyl-N-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl ester;Benzoic acid, 3,4,5-trimethoxy-, 4-[ethyl[2-(1H-pyrrol-2-yl)ethyl]amino]butyl ester

Chemical Property of Benzoic acid, 3,4,5-trimethoxy-, 4-(N-ethyl-N-pyrrol-3-ylethylamino)butyl ester

Chemical Property:

• Vapor Pressure: 7.22E-11mmHg at 25°C
• Boiling Point: 518.8°C at 760 mmHg
• Flash Point: 267.6°C
• PSA: 73.02000
• Density: 1.12g/cm³
• LogP: 3.54210
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 404.23112213
• Heavy Atom Count: 29
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CN2