N-Benzylethylenediamine-N,N',N'-triacetic acid
TL;DR: N-Benzylethylenediamine-N,N',N'-triacetic acid (CAS 65311-06-0) is a chemical compound with molecular formula C15H20N2O6 and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Also Known As: N-Benzylethylenediamine-N,N',N'-triacetic acid, [2-[Benzyl amino]ethylimino]diaceticacid, 2-[benzyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid, 3,6-Diazaoctanedioic acid, 3-benzyl-6-carboxymethyl-, N-[2-[Bis(carboxymethyl)amino]ethyl]-N-benzylglycine
| Molecular Formula | C15H20N2O6 |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 324.13214 |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 65311-06-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | JUQMLGRFOBOBBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzylethylenediamine-N,N',N'-triacetic acid (CAS 65311-06-0), with molecular formula C15H20N2O6 and molecular weight 324.13 g/mol. IUPAC: 2-[benzyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid.
Chemical Property Profile of N-Benzylethylenediamine-N,N',N'-triacetic acid
Property Insights of N-Benzylethylenediamine-N,N',N'-triacetic acid
The XLogP value of -4.0 indicates that N-Benzylethylenediamine-N,N',N'-triacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzylethylenediamine-N,N',N'-triacetic acid. Following Lipinski's Rule of Five, N-Benzylethylenediamine-N,N',N'-triacetic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Benzylethylenediamine-N,N',N'-triacetic acid?
The CAS number of N-Benzylethylenediamine-N,N',N'-triacetic acid is 65311-06-0.
What is the molecular formula of N-Benzylethylenediamine-N,N',N'-triacetic acid?
The molecular formula of N-Benzylethylenediamine-N,N',N'-triacetic acid is C15H20N2O6.
What is the molecular weight of N-Benzylethylenediamine-N,N',N'-triacetic acid?
The molecular weight of N-Benzylethylenediamine-N,N',N'-triacetic acid is 324.13 g/mol.
Where can I buy N-Benzylethylenediamine-N,N',N'-triacetic acid?
You can request a quote for N-Benzylethylenediamine-N,N',N'-triacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylethylenediamine-N,N',N'-triacetic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylethylenediamine-N,N',N'-triacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.