1,6-Diaminohexane-N,N,N',N'-tetraacetic acid

Base Information

• Chemical Name: 1,6-Diaminohexane-N,N,N',N'-tetraacetic acid
• CAS No.: 1633-00-7
• Molecular Formula: C14H24 N2 O8
• Molecular Weight: 348.353
• Hs Code.: 2922499990
• European Community (EC) Number: 216-642-1
• DSSTox Substance ID: DTXSID00936810
• Nikkaji Number: J195.260I
• Wikidata: Q82913019
• Mol file: 1633-00-7.mol

Synonyms:1,6-hexanediamine-N,N,N',N'-tetraacetic acid;HDTA

Chemical Property of 1,6-Diaminohexane-N,N,N',N'-tetraacetic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Melting Point: 232-236 °C (dec.)(lit.)
• Refractive Index: 1.4590 (estimate)
• Boiling Point: 631.1°Cat760mmHg
• PKA: 1.55±0.10(Predicted)
• Flash Point: 335.5°C
• PSA: 155.68000
• Density: 1.378g/cm³
• LogP: -0.51080
• Solubility.: almost transparency in 1mol/L NaOH
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 348.15326573
• Heavy Atom Count: 24
• Complexity: 369

Purity/Quality:

97% ^*data from raw suppliers

2-({6-[bis(Carboxymethyl)amino]hexyl}(carboxymethyl)amino)aceticAcid ^*data from reagent suppliers

Safty Information:

• 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: C(CCCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

Technology Process of 1,6-Diaminohexane-N,N,N',N'-tetraacetic acid

There total 2 articles about 1,6-Diaminohexane-N,N,N',N'-tetraacetic 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: 44.6%

1,6-Hexanediamine (124-09-4) + chloroacetic acid (79-11-8) → 1,6-diaminohexane-N,N,N',N'-tetraacetic acid (1633-00-7)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 1h;

DOI:10.1039/b201175a

Reference yield:

→ 1,6-diaminohexane-N,N,N',N'-tetraacetic acid (1633-00-7)

Guidance literature:

Chloressigsaeure, Hexamethylendiamin;

DOI:10.1246/bcsj.43.97

upstream raw materials:

1,6-Hexanediamine

chloroacetic acid