(4,6-Diamino-1,3,5-triazine-2-yl)guanidine supplier

Name
(4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE
EINECS
CAS No. 4405-08-7
Article Data9
CAS DataBase
Density 2.261 g/cm³
Solubility
Melting Point 225 °C
Formula C₄H₈N₈
Boiling Point 617.077 °C at 760 mmHg
Molecular Weight 168.161
Flash Point 326.997 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 152.61000
LogP 0.37680

Synthetic route

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

A: 4405-08-7
2,4-diamino-6-guanidino-1,3,5-triazine

B: 141-83-3
carbamimidoylurea

C: 32151-75-0
2,4,6-triguanidino-1,3,5-triazine

D: 113-00-8
guanidine nitrate

Conditions

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

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: 3397-62-4
2-Chloro-4,6-diamino-1,3,5-triazine

: 593-85-1
diguanidine carbonate

: 4405-08-7
2,4-diamino-6-guanidino-1,3,5-triazine

: 3496-98-8
cyanomelamine

: 631-61-8
ammonium acetate

: 4405-08-7
2,4-diamino-6-guanidino-1,3,5-triazine

Conditions

Conditions	Yield
With ethylene glycol

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

A: 4405-08-7
2,4-diamino-6-guanidino-1,3,5-triazine

B 4,6-diguanidino-<1,3,5>triazin-2-ylamine, triguanidino-<1,3,5>triazine: 4,6-diguanidino-<1,3,5>triazin-2-ylamine, triguanidino-<1,3,5>triazine

Conditions

Conditions	Yield
With hydrogenchloride; phenol
With hydrogen fluoride; phenol

: 7647-01-0
hydrogenchloride

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

: 108-95-2
phenol

A: 4405-08-7
2,4-diamino-6-guanidino-1,3,5-triazine

B: 26690-75-5
N,N'''-(6-amino-[1,3,5]triazine-2,4-diyl)-bis-guanidine

C: 32151-75-0
2,4,6-triguanidino-1,3,5-triazine

Conditions

Conditions	Yield
at 120℃;

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(4,6-Diamino-1,3,5-triazine-2-yl)guanidine Specification

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

Product Name

(4,6-DIAMINO-1,3,5-TRIAZINE-2-YL)GUANIDINE

Synthetic route

(4,6-Diamino-1,3,5-triazine-2-yl)guanidine Specification

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