Nicotinoguanamine

Base Information

• Chemical Name: Nicotinoguanamine
• CAS No.: 18020-61-6
• Molecular Formula: C8H8N6
• Molecular Weight: 188.1893
• NSC Number: 231604
• UNII: B61FZQ9X4W
• DSSTox Substance ID: DTXSID20170931
• Nikkaji Number: J2.911.652K
• Wikidata: Q83040949
• Mol file: 18020-61-6.mol

Synonyms:Nicotinoguanamine;18020-61-6;6-(3-pyridyl)-1,3,5-triazine-2,4-diamine;B61FZQ9X4W;s-Triazine, 2,4-diamino-6-(3-pyridyl)-;6-(Pyridin-3-yl)-1,3,5-triazine-2,4-diamine;1,3,5-Triazine-2,4-diamine, 6-(3-pyridinyl)-;NSC-231604;6-pyridin-3-yl-1,3,5-triazine-2,4-diamine;NSC231604;NSC 231604;AI3-60205;UNII-B61FZQ9X4W;s-Triazine, 2,4-diamino-6-(3-pyridyl)- (8CI);SCHEMBL9489052;CCG-753;DTXSID20170931;MFCD00124375;AKOS006283939;s-Triazine,4-diamino-6-(3-pyridyl)-;1,5-Triazine-2,4-diamine, 6-(3-pyridinyl)-;6-(3-PYRIDINYL)-1,3,5-TRIAZINE-2,4-DIAMINE

Chemical Property of Nicotinoguanamine

Chemical Property:

• Vapor Pressure: 5.44E-12mmHg at 25°C
• Boiling Point: 546.3°Cat760mmHg
• Flash Point: 318.1°C
• Density: 1.423g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 188.08104428
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C2=NC(=NC(=N2)N)N

Technology Process of Nicotinoguanamine

There total 3 articles about Nicotinoguanamine 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: 97.0%

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + dicyandiamide (127099-85-8,780722-26-1) → 2,4-diamino-6-(4-pyridyl)-1,3,5-triazine (18020-61-6)

Guidance literature:

With potassium hydroxide; In ethyl methyl ether; at 125 ℃; for 0.333333h;

DOI:10.3987/COM-11-12137

Reference yield: 92.0%

pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 2,4-diamino-6-(4-pyridyl)-1,3,5-triazine (18020-61-6)

Guidance literature:

With potassium hydroxide; In 2-methoxy-ethanol; for 2h; Reflux;

DOI:10.1016/j.molliq.2020.113170

Reference yield:

→ 2,4-diamino-6-(4-pyridyl)-1,3,5-triazine (18020-61-6)

Guidance literature:

Nicotinsaeurenitril, Dicyandiamid, Aethyl-cellosolve, KOH, <Δ>;

upstream raw materials:

pyridine-3-carbonitrile

dicyandiamide

N-Cyanoguanidine

Refernces

• 1、 Otmar, Miroslav,Dracinsky, Martin,Jan Balzarini, Marcela Krecmerovaa,Andrei, Graciela,Snoeck, Robert. "Synthesis of O2-and N3-(2-phosphonomethoxy)ethyl derivatives of 6-phenyl- and 6-pyridinyl-5-azacytosine". experimental part. p. 797 - 813. Retrieved 2011/06/25.