N-Benzylaminodiacetic acid
TL;DR: N-Benzylaminodiacetic acid (CAS 3987-53-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(carboxymethyl)amino]acetic acid
Also Known As: N-Benzyliminodiacetic acid, N-Benzylaminodiacetic acid, 2,2'-(benzylazanediyl)diacetic acid, BADA[Dotite], 2-[benzyl(carboxymethyl)amino]acetic acid
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 3987-53-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC(=O)O)CC(=O)O |
| InChIKey | SZQUPQVVCLFZLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzylaminodiacetic acid (CAS 3987-53-9), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: 2-[benzyl(carboxymethyl)amino]acetic acid.
Chemical Property Profile of N-Benzylaminodiacetic acid
Property Insights of N-Benzylaminodiacetic acid
The XLogP value of -1.3 indicates that N-Benzylaminodiacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzylaminodiacetic acid. Following Lipinski's Rule of Five, N-Benzylaminodiacetic acid has 2 hydrogen bond donor(s) and 5 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-Benzylaminodiacetic acid?
The CAS number of N-Benzylaminodiacetic acid is 3987-53-9.
What is the molecular formula of N-Benzylaminodiacetic acid?
The molecular formula of N-Benzylaminodiacetic acid is C11H13NO4.
What is the molecular weight of N-Benzylaminodiacetic acid?
The molecular weight of N-Benzylaminodiacetic acid is 223.08 g/mol.
Where can I buy N-Benzylaminodiacetic acid?
You can request a quote for N-Benzylaminodiacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylaminodiacetic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylaminodiacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.