氮川三乙酸
TL;DR: 氮川三乙酸 (CAS 139-13-9) is a chemical compound with molecular formula C6H9NO6 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氮川三乙酸
2-[bis(carboxymethyl)amino]acetic acid
Also Known As: NITRILOTRIACETIC ACID, Triglycine, Triglycollamic acid, Nitrilotriacetate, Complexon I
| Molecular Formula | C6H9NO6 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.04298 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
| Melting Point | 246.1 °C (decomposes) |
| Boiling Point | Solid decomposes |
| Density | greater than 1 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 73 °F (NTP, 1992) |
| Vapor Pressure | 0.00000001 [mmHg] |
Chemical Identifiers
| CAS Number | 139-13-9 |
|---|---|
| SMILES | C(C(=O)O)N(CC(=O)O)CC(=O)O |
| InChIKey | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氮川三乙酸 (CAS 139-13-9), with molecular formula C6H9NO6 and molecular weight 191.04 g/mol. IUPAC: 2-[bis(carboxymethyl)amino]acetic acid.
Chemical Property Profile of 氮川三乙酸
Property Insights of 氮川三乙酸
The XLogP value of -3.2 indicates that 氮川三乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氮川三乙酸. Following Lipinski's Rule of Five, 氮川三乙酸 has 3 hydrogen bond donor(s) and 7 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 氮川三乙酸?
The CAS number of 氮川三乙酸 is 139-13-9.
What is the molecular formula of 氮川三乙酸?
The molecular formula of 氮川三乙酸 is C6H9NO6.
What is the molecular weight of 氮川三乙酸?
The molecular weight of 氮川三乙酸 is 191.04 g/mol.
Where can I buy 氮川三乙酸?
You can request a quote for 氮川三乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氮川三乙酸?
Yes, KEHONG BIO provides custom synthesis services for 氮川三乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.