4405-08-7

Basic information

• Product Name: (4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE
• Synonyms: (4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE;GuanylMelaMine;Guanidine, N-(4-aMino-3,6-dihydro-6-iMino-1,3,5-triazin-2-yl)-;(4,6-diaMino-1,3,5-triazin-2-yl)guanidine;(4,6-DiaMino-s-triazin-2-yl)guanidine;(AMinoiMinoMethyl)-1,3,5-triazine-2,4,6-triaMine;MonoguanylMelaMine;N-(4-aMino-3,6-dihydro-6-iMino-1,3,5-triazin-2-yl)guanidine
• CAS NO: 4405-08-7
• Molecular Formula: C₄H₈N₈
• Molecular Weight: 168.16
• Product Categories: Amines;Aromatics;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 4405-08-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: 225 °C
• Boiling Point: 617.077 °C at 760 mmHg
• Flash Point: 326.997 °C
• Appearance: /
• Density: 2.261 g/cm³
• Storage Temp.: Refrigerator
• Solubility: Aqueous Base (Slightly), DMSO, Water (Slightly, Heated)
• PKA: 9.03±0.70(Predicted)
• CAS DataBase Reference: (4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: (4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE(4405-08-7)
• EPA Substance Registry System: (4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE(4405-08-7)

Safety Data

• Hazardous Substances Data: 4405-08-7(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 4405-08-7 differently. You can refer to the following data:
1. A guanidino compound with with antitumor activity; neoplasm inhibitor.
2. Guanylmelamine is a guanidino compound with antitumor activity. Also a neoplasm inhibitor.

Synthetic route

N-Cyanoguanidine (127099-85-8, 780722-26-1) → 2,4-diamino-6-guanidino-1,3,5-triazine (4405-08-7) + carbamimidoylurea (141-83-3) + 2,4,6-triguanidino-1,3,5-triazine (32151-75-0) + guanidine nitrate (113-00-8)

Conditions	Yield
With hydrogenchloride In N,N-dimethyl-formamide at 80℃; for 0.5h;	A 8% B n/a C 42% D n/a
With hydrogenchloride In N,N-dimethyl-formamide at 80℃; for 1.83333h; Yield given;	A 8% B n/a C 42% D n/a

2-Chloro-4,6-diamino-1,3,5-triazine (3397-62-4) + diguanidine carbonate (593-85-1) → 2,4-diamino-6-guanidino-1,3,5-triazine (4405-08-7)

cyanomelamine (3496-98-8) + ammonium acetate (631-61-8) → 2,4-diamino-6-guanidino-1,3,5-triazine (4405-08-7)

Conditions	Yield
With ethylene glycol

N-Cyanoguanidine (127099-85-8, 780722-26-1) → 2,4-diamino-6-guanidino-1,3,5-triazine (4405-08-7) + 4,6-diguanidino-<1,3,5>triazin-2-ylamine, triguanidino-<1,3,5>triazine

Conditions	Yield
With hydrogenchloride; phenol
With hydrogen fluoride; phenol

hydrogenchloride (7647-01-0) + N-Cyanoguanidine (127099-85-8, 780722-26-1) + phenol (108-95-2) → 2,4-diamino-6-guanidino-1,3,5-triazine (4405-08-7) + N,N'''-(6-amino-[1,3,5]triazine-2,4-diyl)-bis-guanidine (26690-75-5) + 2,4,6-triguanidino-1,3,5-triazine (32151-75-0)

Conditions	Yield
at 120℃;

Upstream product

• 3397-62-4 2-Chloro-4,6-diamino-1,3,5-triazine 
• 593-85-1 diguanidine carbonate 
• 3496-98-8 cyanomelamine 
• 631-61-8 ammonium acetate 
• 7647-01-0 hydrogenchloride 
• 127099-85-8 N-Cyanoguanidine 
• 108-95-2 phenol 

Relevant articles and documents

Synthesis of Guanidino-1,3,5-triazines Using DMF

2,4,6-Triguanidino-1,3,5-triazine and 2,4,6-tris(3-methylguanidino)-1,3,5-triazine were synthesized in 42 and 52percent yields, respectively, by the cyclotrimerization of cyanoguanidine and 1-methyl-3-cyanoguanidine using DMF as a solvent in the presence of hydrogen chloride. 1-Phenyl-3-cyanoguanidine, 1,2-dimethyl-3-cyanoguanidine, and 2-imidazolidinylidenecyanamide, however, were cyclodimerized to the corresponding guanidino-1,3,5-triazines in a similar manner.