Propylenediamine tetra-acetic acid

Base Information

• Chemical Name: Propylenediamine tetra-acetic acid
• CAS No.: 4408-81-5
• Molecular Formula: C11H18N2O8
• Molecular Weight: 306.273
• Hs Code.: 29224995
• European Community (EC) Number: 224-559-7
• NSC Number: 132341
• DSSTox Substance ID: DTXSID101253702
• Nikkaji Number: J8.764E
• ChEMBL ID: CHEMBL3246005
• Mol file: 4408-81-5.mol

Synonyms:PDTA;propanoldiaminetetracetic acid

Chemical Property of Propylenediamine tetra-acetic acid

Chemical Property:

• Appearance/Colour: White micro-crystalline powder
• Melting Point: 241 °C (dec.)(lit.)
• Refractive Index: 1.4620 (estimate)
• Boiling Point: 446.89°C (rough estimate)
• PKA: 1.80±0.10(Predicted)
• Flash Point: 319.6oC
• PSA: 155.68000
• Density: 1.3505 (rough estimate)
• LogP: -1.68270
• Storage Temp.: Store below +30°C.
• Solubility.: Aqueous Base (Slightly)
• XLogP3: -5.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 306.10631554
• Heavy Atom Count: 21
• Complexity: 379

Purity/Quality:

97% ^*data from raw suppliers

1,2-Diaminopropane-N,N,N',N'-tetraacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
• Uses: Employed in organometallic ligation.

Technology Process of Propylenediamine tetra-acetic acid

There total 4 articles about Propylenediamine tetra-acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,2-diaminopropan (78-90-0,10424-38-1) + chloroacetic acid (79-11-8) → 1,2-diaminopropane-N,N,N',N'-tetraacetic acid (4408-81-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01521a010

Reference yield:

→ 1,2-diaminopropane-N,N,N',N'-tetraacetic acid (4408-81-5)

Guidance literature:

With sodium hydroxide; water; hydrogen; cadmium(II) oxide; at 230 - 240 ℃;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + sodium cyanide (143-33-9,25596-52-5) + 1,2-diaminopropan (78-90-0,10424-38-1) → 1,2-diaminopropane-N,N,N',N'-tetraacetic acid (4408-81-5)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

formaldehyd

sodium cyanide

1,2-diaminopropan

chloroacetic acid

Downstream raw materials:

dexrazoxane

potassium 1,2-propanediaminetriacetatoacetic acid nickelate(II) monohydrate