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CAS No.: | 4405-08-7 |
---|---|
Name: | (4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4H8N8 |
Molecular Weight: | 168.161 |
Synonyms: | Guanidine, (4,6-diamino-1,3,5-triazin-2-yl)- (9CI);Guanidine, (4,6-diamino-s-triazin-2-yl)- (6CI,7CI,8CI);1,3,5-Triazine-2,4,6-triamine, (aminoiminomethyl)-;Guanylmelamine;Monoguanylmelamine; |
Density: | 2.261 g/cm3 |
Melting Point: | 225 °C |
Boiling Point: | 617.077 °C at 760 mmHg |
Flash Point: | 326.997 °C |
PSA: | 152.61000 |
LogP: | 0.37680 |
N-Cyanoguanidine
A
2,4-diamino-6-guanidino-1,3,5-triazine
B
carbamimidoylurea
C
2,4,6-triguanidino-1,3,5-triazine
D
guanidine nitrate
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 |
Conditions | Yield |
---|---|
With ethylene glycol |
N-Cyanoguanidine
A
2,4-diamino-6-guanidino-1,3,5-triazine
Conditions | Yield |
---|---|
With hydrogenchloride; phenol | |
With hydrogen fluoride; phenol |
hydrogenchloride
N-Cyanoguanidine
phenol
A
2,4-diamino-6-guanidino-1,3,5-triazine
B
N,N'''-(6-amino-[1,3,5]triazine-2,4-diyl)-bis-guanidine
C
2,4,6-triguanidino-1,3,5-triazine
Conditions | Yield |
---|---|
at 120℃; |
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The (4,6-Diamino-1,3,5-triazine-2-yl)guanidine, with the CAS registry number 4405-08-7, is also known as Monoguanylmelamine. It belongs to the product categories of Amines; Aromatics; Heterocycles; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C4H8N8 and molecular weight is 168.16. What's more, its systematic name is 1-(4,6-Diamino-1,3,5-triazin-2-yl)guanidine. This chemical is a guanidino compound with with antitumor activity, and it is a neoplasm inhibitor.
Physical properties of (4,6-Diamino-1,3,5-triazine-2-yl)guanidine are: (1)ACD/LogP: -0.728; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.61; (8)ACD/KOC (pH 7.4): 9.53; (9)#H bond acceptors: 8; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 155.11 Å2; (13)Index of Refraction: 2.046; (14)Molar Refractivity: 38.301 cm3; (15)Molar Volume: 74.373 cm3; (16)Polarizability: 15.184×10-24cm3; (17)Surface Tension: 153.27 dyne/cm; (18)Density: 2.261 g/cm3; (19)Flash Point: 326.997 °C; (20)Enthalpy of Vaporization: 91.514 kJ/mol; (21)Boiling Point: 617.077 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(=C(\N)N)\c1nc(nc(n1)N)N
(2)Std. InChI: InChI=1S/C4H8N8/c5-1(6)9-4-11-2(7)10-3(8)12-4/h(H8,5,6,7,8,9,10,11,12)
(3)Std. InChIKey: QLVPICNVQBBOQP-UHFFFAOYSA-N