ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate structure

ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate

TL;DR: ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate (CAS 102744-98-9) is a chemical compound with molecular formula C12H12FeN2Na4O12 and molecular weight 523.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

tetrasodium;bis(2-[bis(carboxylatomethyl)amino]acetate);iron(2+)

Also Known As: Disodium nitrilotriacetate iron(II) chelate, ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate, Iron(2+) sodium 2,2',2''-nitrilotriacetate (1/4/2), tetrasodium; 2-[bis(2-oxido-2-oxoethyl)amino]acetate; iron(2+)

CAS: 102744-98-9
Molecular Formula C12H12FeN2Na4O12
Molecular Weight 523.93 g/mol
LogP -22.91
Topological Polar Surface Area 247.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 14
Rotatable Bonds 6
Exact Mass 523.93304
Heavy Atoms 31
Complexity 171.0

Chemical Identifiers

CAS Number 102744-98-9
SMILES C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Fe+2]
InChIKey HAUTZSZVTVUUJE-UHFFFAOYSA-H

Product Overview

ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate (CAS 102744-98-9), with molecular formula C12H12FeN2Na4O12 and molecular weight 523.93 g/mol. IUPAC: tetrasodium;bis(2-[bis(carboxylatomethyl)amino]acetate);iron(2+).

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →

Chemical Property Profile of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate

XLogP
-22.91
TPSA (Topological Polar Surface Area)
247.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
14
Rotatable Bonds
6
Heavy Atoms
31
Complexity
171.0
Exact Mass
523.93304
Monoisotopic Mass
523.93304
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate

The XLogP value of -22.91 indicates that ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.0 Ų indicates high polarity, suggesting ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate?

The CAS number of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate is 102744-98-9.

What is the molecular formula of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate?

The molecular formula of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate is C12H12FeN2Na4O12.

What is the molecular weight of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate?

The molecular weight of ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate is 523.93 g/mol.

Where can I buy ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate?

You can request a quote for ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate?

Yes, KEHONG BIO provides custom synthesis services for ACETIC ACID, NITRILOTRI-, DISODIUM SALT, IRON(II) chelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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