3-Propyl-1H-1,2,4-triazol-5-amine

Base Information

• Chemical Name: 3-Propyl-1H-1,2,4-triazol-5-amine
• CAS No.: 60016-62-8
• Molecular Formula: C₅H₁₀N₄
• Molecular Weight: 126.161
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80352433
• Wikidata: Q82129580
• Mol file: 60016-62-8.mol

Synonyms:60016-62-8;3-Propyl-1H-1,2,4-triazol-5-amine;5-PROPYL-4H-1,2,4-TRIAZOL-3-AMINE;5-propyl-1H-1,2,4-triazol-3-amine;CHEMBRDG-BB 6741358;SCHEMBL535038;SCHEMBL22750775;DTXSID80352433;MFCD02907684;STL577363;AKOS000270529;AKOS002559833;LS-05654;CS-0360857;FT-0684118;3-Propyl-1H-1,2,4-triazol-5-amine, AldrichCPR;5-Propyl-4H-1,2,4-triazol-3-amine, AldrichCPR

Chemical Property of 3-Propyl-1H-1,2,4-triazol-5-amine

Chemical Property:

• Vapor Pressure: 0.000158mmHg at 25°C
• Boiling Point: 331.2oC at 760 mmHg
• Flash Point: 180.5oC
• PSA: 67.59000
• Density: 1.192g/cm3
• LogP: 0.92060
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.090546336
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98%min ^*data from raw suppliers

3-Propyl-1H-1,2,4-triazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC(=NN1)N

Technology Process of 3-Propyl-1H-1,2,4-triazol-5-amine

There total 2 articles about 3-Propyl-1H-1,2,4-triazol-5-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: 91.0%

1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) + butyric acid (107-92-6) → 5-amino-3-propyl-1H-{1,2,4}triazole (60016-62-8)

Guidance literature:

at 220 - 230 ℃; for 8h;

Reference yield:

aminoguanidine nitrate (10308-82-4) → 3-Amino-5-n-propyl-1,2,4-triazol (60016-62-8)

Guidance literature:

With butyric acid;

Reference yield: 78.0%

p-nitrocinnamic acid methyl ester (637-57-0) + 5-amino-3-propyl-1H-{1,2,4}triazole (60016-62-8) → 7-(4-nitro-phenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Guidance literature:

at 210 ℃; for 10h;

upstream raw materials:

aminoguanidine nitrate

1-aminoguanidine hydrochloride

butyric acid