Triethylenetetraminehexaacetic acid
TL;DR: Triethylenetetraminehexaacetic acid (CAS 869-52-3) is a chemical compound with molecular formula C18H30N4O12 and molecular weight 494.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
Also Known As: TTHA, Hexaacetic Acid, Triethylenetetraminehexaacetate, triethylenetetraminehexaacetic acid, Dy(TTHA)
| Molecular Formula | C18H30N4O12 |
|---|---|
| Molecular Weight | 494.19 g/mol |
| LogP | -11.2 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Exact Mass | 494.18604 |
| Heavy Atoms | 34 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 869-52-3 |
|---|---|
| SMILES | C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | RAEOEMDZDMCHJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylenetetraminehexaacetic acid (CAS 869-52-3), with molecular formula C18H30N4O12 and molecular weight 494.19 g/mol. IUPAC: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid.
Chemical Property Profile of Triethylenetetraminehexaacetic acid
Property Insights of Triethylenetetraminehexaacetic acid
The XLogP value of -11.2 indicates that Triethylenetetraminehexaacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 237.0 Ų indicates high polarity, suggesting Triethylenetetraminehexaacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triethylenetetraminehexaacetic acid has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triethylenetetraminehexaacetic acid?
The CAS number of Triethylenetetraminehexaacetic acid is 869-52-3.
What is the molecular formula of Triethylenetetraminehexaacetic acid?
The molecular formula of Triethylenetetraminehexaacetic acid is C18H30N4O12.
What is the molecular weight of Triethylenetetraminehexaacetic acid?
The molecular weight of Triethylenetetraminehexaacetic acid is 494.19 g/mol.
Where can I buy Triethylenetetraminehexaacetic acid?
You can request a quote for Triethylenetetraminehexaacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylenetetraminehexaacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Triethylenetetraminehexaacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.