N,N-dimethyl-1,3,5-triazine-2,4-diamine

Base Information

• Chemical Name: N,N-dimethyl-1,3,5-triazine-2,4-diamine
• CAS No.: 4039-98-9
• Molecular Formula: C5H9N5
• Molecular Weight: 139.16
• Hs Code.: 2933699090
• European Community (EC) Number: 637-028-3
• NSC Number: 166459
• DSSTox Substance ID: DTXSID70304608
• Nikkaji Number: J79.909B
• Wikidata: Q82050637
• Mol file: 4039-98-9.mol

Synonyms:N,N-dimethyl-1,3,5-triazine-2,4-diamine;4039-98-9;2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine;N2,N2-Dimethyl-1,3,5-triazine-2,4-diamine;NSC166459;SCHEMBL2491794;DTXSID70304608;MFCD00085979;STL122220;2-amino-4-dimethylamino-sym-triazine;AKOS005738370;NSC-166459;SB73344;4-amino-2-dimethylamino-1,3,5-triazine;LS-05042;CS-0210318;EN300-1698362;Z1165162994

Chemical Property of N,N-dimethyl-1,3,5-triazine-2,4-diamine

Chemical Property:

• Vapor Pressure: 0.000154mmHg at 25°C
• Melting Point: 189-190 °C
• Boiling Point: 331.7°C at 760 mmHg
• PKA: 4.55±0.10(Predicted)
• Flash Point: 154.4°C
• PSA: 67.93000
• Density: 1.272g/cm³
• LogP: 0.10100
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 139.08579531
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethyl-1,3,5-triazine-2,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC=NC(=N1)N

Technology Process of N,N-dimethyl-1,3,5-triazine-2,4-diamine

There total 5 articles about N,N-dimethyl-1,3,5-triazine-2,4-diamine 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: 92.0%

Methyl formate (107-31-3) + metformin hydrochloride (1115-70-4) → N2,N2-dimethyl-1,3,5-triazine-2,4-diamine (4039-98-9)

Guidance literature:

metformin hydrochloride; With sodium methylate; In methanol; at 20 ℃; for 4h;

Methyl formate; In methanol; at 20 ℃; for 24h;

Reference yield: 92.0%

metformin hydrochloride (1115-70-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N2,N2-dimethyl-1,3,5-triazine-2,4-diamine (4039-98-9)

Guidance literature:

With Imidazole hydrochloride; at 153 ℃;

DOI:10.1016/j.tetlet.2020.151844

Reference yield: 45.8%

→ N2,N2-dimethyl-1,3,5-triazine-2,4-diamine (4039-98-9)

Guidance literature:

With sodium methylate; In methanol; at 25 ℃; for 12h;

upstream raw materials:

formamide

dimethylbiguanide

formic acid

Methyl formate

Refernces

• 1、 -. "Imidazole-triazine type compound and preparation method and application thereof". Paragraph 0028; 0029; 0030. . Retrieved 2017/10/06.
• 2、 Kreutzberger. "Diuretics on the basis of N substituted 2,4 diamino s triazines by cyclisation of biguanides". . p. 1860 - 1862. Retrieved 2007/10/04.