N,N,N',N'-1,4-Phenylenediaminetetraacetic acid
TL;DR: N,N,N',N'-1,4-Phenylenediaminetetraacetic acid (CAS 1099-02-1) is a chemical compound with molecular formula C14H16N2O8 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid
Also Known As: N,N,N',N'-1,4-Phenylenediaminetetraacetic acid, HYDROXINAPINICACID, Phenyldiaminetetraacetic acid, LABOTEST-BB LT00455236, 2,2',2'',2'''-(1,4-Phenylenebis(azanetriyl))tetraacetic acid
| Molecular Formula | C14H16N2O8 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | -0.3622 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 340.09067 |
| Heavy Atoms | 24 |
| Complexity | 541.16656 |
Chemical Identifiers
| CAS Number | 1099-02-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
Product Overview
N,N,N',N'-1,4-Phenylenediaminetetraacetic acid (CAS 1099-02-1), with molecular formula C14H16N2O8 and molecular weight 340.09 g/mol. IUPAC: 2-[4-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid.
Chemical Property Profile of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid
Property Insights of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid
The XLogP value of -0.3622 indicates that N,N,N',N'-1,4-Phenylenediaminetetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.68 Ų indicates high polarity, suggesting N,N,N',N'-1,4-Phenylenediaminetetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N,N',N'-1,4-Phenylenediaminetetraacetic acid has 4 hydrogen bond donor(s) and 6 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,N,N',N'-1,4-Phenylenediaminetetraacetic acid?
The CAS number of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid is 1099-02-1.
What is the molecular formula of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid?
The molecular formula of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid is C14H16N2O8.
What is the molecular weight of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid?
The molecular weight of N,N,N',N'-1,4-Phenylenediaminetetraacetic acid is 340.09 g/mol.
Where can I buy N,N,N',N'-1,4-Phenylenediaminetetraacetic acid?
You can request a quote for N,N,N',N'-1,4-Phenylenediaminetetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N',N'-1,4-Phenylenediaminetetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for N,N,N',N'-1,4-Phenylenediaminetetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.