Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3)

Base Information

• Chemical Name: Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3)
• CAS No.: 164462-16-2
• Molecular Formula: C7H11 N O6 . 3 Na
• Molecular Weight: 271.113
• Hs Code.: 2922509090
• European Community (EC) Number: 605-362-9
• UNII: 784K2O81WY
• DSSTox Substance ID: DTXSID2044555
• Nikkaji Number: J763.857D
• Wikipedia: Trisodium_dicarboxymethyl_alaninate
• Wikidata: Q17381832
• RXCUI: 1598337
• Mol file: 164462-16-2.mol

Synonyms:164462-16-2;trisodium dicarboxymethyl alaninate;Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3);Trisodium 2-Methylnitrilotriacetate;UNII-784K2O81WY;Trisodium dicarboxymethylalaninate;Trisodium N-(1-Carboxylatoethyl)iminodiacetate;784K2O81WY;Alanine, N,N-bis(carboxymethyl)-, trisodium salt;trisodium;2-[bis(carboxylatomethyl)amino]propanoate;Trisodium 2-[bis(carboxymethyl)amino]propanoate;Trisodium 2-(bis(carboxylatomethyl)amino)propanoate;C7-H11-N-O6.3Na;EC 423-270-5;Trilon M;TrisodiuM N-(1-Carboxylatoethyl)iMinodiacetate Hydrate;MGDA;Methyl glycine diacetic acid trisodium salt;DL-Alanine-N,N-diacetic acid trisodium salt;DTXSID2044555;CS-0217447;N,N-Bis(carboxymethyl)alanine trisodium salt;T2202;TRISODIUM DICARBOXYMETHYL ALANINATE, DL-;EN300-7460365;N,N-Bis(carboxylatomethyl)alanine Trisodium Salt;Alanine, N-N-bis(carboxymethyl)-, trisodium salt;TRISODIUM DICARBOXYMETHYL ALANINATE [INCI];Sodium2,2'-((1-carboxylatoethyl)azanediyl)diacetate;Q17381832;Sodium 2,2'-((1-carboxylatoethyl)azanediyl)diacetate;N-(1-Carboxylatoethyl)iminodiacetic Acid Trisodium Salt;DL-ALANINE, N,N-BIS(CARBOXYMETHYL)-, TRISODIUM SALT

Chemical Property of Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3)

Chemical Property:

• Vapor Pressure: 1.57E-10mmHg at 25°C
• Boiling Point: 479.9ºC at 760 mmHg
• PKA: 10.6[at 20 ℃]
• Flash Point: 244.1ºC
• PSA: 123.63000
• Density: 1.464[at 20℃]
• LogP: -5.07340
• Solubility.: Soluble in water
• Water Solubility.: 500g/L at 24℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 271.00446982
• Heavy Atom Count: 17
• Complexity: 218

Purity/Quality:

98% ^*data from raw suppliers

Trisodium N-(1-Carboxylatoethyl)iminodiacetate Hydrate >95.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]

Technology Process of Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3)

There total 12 articles about Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3) 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: 99.75%

L-alanin (56-41-7,25191-17-7,18875-37-1) + chloroacetic acid (79-11-8) → N,N-bis(carboxymethyl)-DL-alanine trisodium salt (164462-16-2)

Guidance literature:

With sodium hydroxide; In water; at 87 - 90 ℃; for 1.5h; pH=10 - 10.5; Temperature; pH-value; Large scale;

Reference yield: 97.0%

formic acid (64-18-6) + L-alanin (56-41-7,25191-17-7,18875-37-1) + Glyoxilic acid (298-12-4) → N,N-bis(carboxymethyl)-DL-alanine trisodium salt (164462-16-2)

Guidance literature:

formic acid; L-alanin; In water; at 23 - 27 ℃; for 0.666667h;

Glyoxilic acid; In water; at 78 - 82 ℃; for 5h;

With sodium hydroxide; In water; at 50 ℃; for 0.5h; pH=11; Temperature; pH-value;

Reference yield: 96.63%

DL-alanine sodium salt (23338-69-4) + chloroacetic acid (79-11-8) → N,N-bis(carboxymethyl)-DL-alanine trisodium salt (164462-16-2)

Guidance literature:

With sodium hydroxide; In water; at 82 - 98 ℃; for 5.01h;

upstream raw materials:

methylglycinenitrile-N,N-diacetonitrile

C₇H₁₄NO₄^(1-)*Na⁽¹⁺⁾

formaldehyd

hydrogen cyanide

Refernces

• 1、 -. "Preparation method of green chelating agent methyl glycine diacetic acid (MGDA) sodium salt". Paragraph 0026-0040. . Retrieved 2020/12/14.
• 2、 -. "Preparation method of green chelating agent trisodium N,N-bis(carboxymethyl)alanine". Paragraph 0014; 0017-0020. . Retrieved 2019/03/08.