5-Undecyl-1h-1,2,4-triazol-3-amine

Base Information

• Chemical Name: 5-Undecyl-1h-1,2,4-triazol-3-amine
• CAS No.: 92168-88-2
• Molecular Formula: C13H26N4
• Molecular Weight: 238.3723
• NSC Number: 158032
• DSSTox Substance ID: DTXSID90303370
• Wikidata: Q82048610

Synonyms:5-undecyl-1h-1,2,4-triazol-3-amine;3-Undecyl-1H-1,2,4-triazol-5-amine;92168-88-2;NSC158032;SCHEMBL534934;DTXSID90303370;MFKJBYGCXDTNDA-UHFFFAOYSA-N;MFCD31619043;STL582154;AKOS014786643;AKOS037629247;NSC-158032;3-amino 5-undecyl-1H-1,2,4-triazole;3-amino-5-undecyl-1H-1,2,4-triazole;LS-11609

Chemical Property of 5-Undecyl-1h-1,2,4-triazol-3-amine

Chemical Property:

• Vapor Pressure: 5.61E-07mmHg at 25°C
• Boiling Point: 411.4°C at 760 mmHg
• Flash Point: 231.8°C
• Density: 1.002g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 238.21574685
• Heavy Atom Count: 17
• Complexity: 175

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC1=NC(=NN1)N

Technology Process of 5-Undecyl-1h-1,2,4-triazol-3-amine

There total 4 articles about 5-Undecyl-1h-1,2,4-triazol-3-amine 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: 31.0%

n-dodecanoyl chloride (112-16-3) + aminoguanidine bicarbonate (2582-30-1) → 3-undecyl-1H-1,2,4-triazol-5-amine (92168-88-2)

Guidance literature:

n-dodecanoyl chloride; aminoguanidine bicarbonate; With pyridine; In tetrahydrofuran; at 0 - 20 ℃; for 24h;

With sodium hydrogencarbonate; at 100 ℃; for 4h;

DOI:10.1002/cmdc.202100431

Reference yield:

lauric acid (143-07-7) + aminoguanidine bicarbonate (2582-30-1) → 3-amino-5-undecyl-1H-1,2,4-triazole (92168-88-2)

Guidance literature:

In chloroform; ethyl acetate; N,N-dimethyl-aniline; toluene;

Reference yield:

→ 3-Amino-5-undecyl-1,2,4-triazol (92168-88-2)

Guidance literature:

Aminoguanidinbisulfat, Dodecansaeure / H2O, Ggw. von HNO3, Δ;

upstream raw materials:

n-dodecanoyl chloride

aminoguanidine bicarbonate

lauric acid

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