triethylammonium EDTA
TL;DR: triethylammonium EDTA (CAS 60816-63-9) is a chemical compound with molecular formula C34H76N6O8 and molecular weight 696.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;tetrakis(N,N-diethylethanamine)
Also Known As: EDTA triethylammonium salt, TRIETHYLAMMONIUM EDTA, Ethylenediaminetetraacetic acid triethylamine salt (1:4), Triethylammonium ethylenediaminetetraacetic acid, Ethylenediaminetetraacetic acid, triethylamine salt
| Molecular Formula | C34H76N6O8 |
|---|---|
| Molecular Weight | 696.57 g/mol |
| LogP | 3.32 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 23 |
| Exact Mass | 696.57245 |
| Heavy Atoms | 48 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 60816-63-9 |
|---|---|
| SMILES | CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| InChIKey | JSFDNYJDRDICJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
triethylammonium EDTA (CAS 60816-63-9), with molecular formula C34H76N6O8 and molecular weight 696.57 g/mol. IUPAC: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;tetrakis(N,N-diethylethanamine).
Chemical Property Profile of triethylammonium EDTA
Property Insights of triethylammonium EDTA
The XLogP value of 3.32 indicates that triethylammonium EDTA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting triethylammonium EDTA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, triethylammonium EDTA has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of triethylammonium EDTA?
The CAS number of triethylammonium EDTA is 60816-63-9.
What is the molecular formula of triethylammonium EDTA?
The molecular formula of triethylammonium EDTA is C34H76N6O8.
What is the molecular weight of triethylammonium EDTA?
The molecular weight of triethylammonium EDTA is 696.57 g/mol.
Where can I buy triethylammonium EDTA?
You can request a quote for triethylammonium EDTA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for triethylammonium EDTA?
Yes, KEHONG BIO provides custom synthesis services for triethylammonium EDTA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.