Benzoic acid, 3,4,5-trimethoxy-, 2-((4-chlorobutyl)ethylamino)ethyl ester, hydrochloride

4-chlorobutyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride

CAS: 54112-78-6

Molecular Formula	`C18H29Cl2NO5`
Molecular Weight	410.3 g/mol
Topological Polar Surface Area	58.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	13
Exact Mass	409.14227
Heavy Atoms	26
Complexity	357.0

Chemical Identifiers

CAS Number	54112-78-6
SMILES	`CC[NH+](CCCCCl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[Cl-]`
InChIKey	`QLNLCGPOQRHKDB-UHFFFAOYSA-N`

📖 Product Overview

Benzoic acid, 3,4,5-trimethoxy-, 2-((4-chlorobutyl)ethylamino)ethyl ester, hydrochloride (CAS: 54112-78-6) is a chemical compound with molecular formula C18H29Cl2NO5 and molecular weight 410.3 g/mol. Its IUPAC systematic name is 4-chlorobutyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride. Topological Polar Surface Area 58.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 13 Exact Mass 409.14227 Heavy Atoms 26 Complexity 357.0 InChI Key: QLNLCGPOQRHKDB-UHFFFAOYSA-N. SMILES: CC[NH+](CCCCCl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[Cl-].

🧪

Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

View MSDS →

Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

Do you ship internationally?

Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

📖

Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for Benzoic acid, 3,4,5-trimethoxy-, 2-((4-chlorobutyl)ethylamino)ethyl ester, hydrochloride.

Browse Technical Blog →

No research papers found for this product yet.

We continuously update our academic references. Check back soon!