N-(2-phenylethyl)iminodiacetic acid
TL;DR: N-(2-phenylethyl)iminodiacetic acid (CAS 36369-62-7) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl(2-phenylethyl)amino]acetic acid
Also Known As: ChemDiv3_000236, Phenethyliminobisacetic acid, N-(2-phenylethyl)iminodiacetic acid, 2,2'-(phenethylazanediyl)diacetic acid, (2-Phenylethylimino)bisacetic acid
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 36369-62-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN(CC(=O)O)CC(=O)O |
| InChIKey | PBYJLBUURZPPFG-UHFFFAOYSA-N |
Product Overview
N-(2-phenylethyl)iminodiacetic acid (CAS 36369-62-7), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 2-[carboxymethyl(2-phenylethyl)amino]acetic acid.
Chemical Property Profile of N-(2-phenylethyl)iminodiacetic acid
Property Insights of N-(2-phenylethyl)iminodiacetic acid
The XLogP value of -0.9 indicates that N-(2-phenylethyl)iminodiacetic 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-(2-phenylethyl)iminodiacetic acid. Following Lipinski's Rule of Five, N-(2-phenylethyl)iminodiacetic 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-(2-phenylethyl)iminodiacetic acid?
The CAS number of N-(2-phenylethyl)iminodiacetic acid is 36369-62-7.
What is the molecular formula of N-(2-phenylethyl)iminodiacetic acid?
The molecular formula of N-(2-phenylethyl)iminodiacetic acid is C12H15NO4.
What is the molecular weight of N-(2-phenylethyl)iminodiacetic acid?
The molecular weight of N-(2-phenylethyl)iminodiacetic acid is 237.10 g/mol.
Where can I buy N-(2-phenylethyl)iminodiacetic acid?
You can request a quote for N-(2-phenylethyl)iminodiacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-phenylethyl)iminodiacetic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2-phenylethyl)iminodiacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.