2-[2-(Diaminomethylidene)hydrazinyl]-2-oxoacetic acid

Base Information

• Chemical Name: 2-[2-(Diaminomethylidene)hydrazinyl]-2-oxoacetic acid
• CAS No.: 89797-67-1
• Molecular Formula: C₃H₆N₄O₃
• Molecular Weight: 146.106
• Hs Code.: 2928000090
• NSC Number: 81670
• DSSTox Substance ID: DTXSID30292315
• Nikkaji Number: J34.499K
• ChEMBL ID: CHEMBL1486555
• Mol file: 89797-67-1.mol

Synonyms:89797-67-1;NSC81670;2-[2-(diaminomethylidene)hydrazinyl]-2-oxoacetic acid;Ethanedioic acid,1-[2-(aminoiminomethyl)hydrazide];OXALYL MONOGUANYLHYDRAZIDE;NSC-81670;NCIStruc1_001780;NCIStruc2_000086;SCHEMBL4094350;CHEMBL1486555;DTXSID30292315;NCI81670;CCG-37458;NCGC00013861;AKOS006222091;NCGC00013861-02;NCGC00096971-01;NCI60_041790;FT-0686749;2-(2-carbamimidoylhydrazinyl)-2-oxoacetic acid;(2-(amino(imino)methyl)hydrazino)(oxo)acetic acid

Chemical Property of 2-[2-(Diaminomethylidene)hydrazinyl]-2-oxoacetic acid

Chemical Property:

• Refractive Index: 1.8010 (estimate)
• Boiling Point: 265.69°C (rough estimate)
• PSA: 128.30000
• Density: 1.93g/cm³
• LogP: -0.83290
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 146.04399007
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(=O)O)NN=C(N)N

Technology Process of 2-[2-(Diaminomethylidene)hydrazinyl]-2-oxoacetic acid

There total 3 articles about 2-[2-(Diaminomethylidene)hydrazinyl]-2-oxoacetic 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: 19.0%

aminoguanidine bicarbonate (2582-30-1) + Ethyl oxalyl chloride (4755-77-5) → 2-(2-carbamimidoylhydrazinyl)-2-oxoacetic acid (89797-67-1)

Guidance literature:

With pyridine; at 20 ℃; for 12h;

Reference yield:

oxalic acid (144-62-7,97993-78-7) → 2-(2-carbamimidoylhydrazinyl)-2-oxoacetic acid (89797-67-1)

Guidance literature:

Reference yield:

oxalic acid (144-62-7,97993-78-7) + aminoguanidine nitrate (10308-82-4) → 2-(2-carbamimidoylhydrazinyl)-2-oxoacetic acid (89797-67-1)

Guidance literature:

upstream raw materials:

oxalic acid

aminoguanidine nitrate

aminoguanidine bicarbonate

Ethyl oxalyl chloride

Refernces