2-Amino-4-methoxy-6-methyl-1,3,5-triazine

Reported in EPA TSCA Inventory.

The 2-Amino-4-methyl-6-methoxy-1,3,5-triazine, with the CAS registry number 1668-54-8 and EINECS registry number 216-790-7, has the systematic name of 4-methoxy-6-methyl-1,3,5-triazin-2-amine. And the molecular formula of this chemical is C₅H₈N₄O. It is a kind of off-white to light yellow powder, and belongs to the following product categories: Amines; Building Blocks; Heterocyclic Building Blocks; Triazines.

The physical properties of 2-Amino-4-methyl-6-methoxy-1,3,5-triazine are as following: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.46; (7)ACD/KOC (pH 5.5): 45.25; (8)ACD/KOC (pH 7.4): 45.59; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.14 Ų; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 36.26 cm³; (15)Molar Volume: 111.6 cm³; (16)Polarizability: 14.37×10^-24cm³; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 163.3 °C; (20)Enthalpy of Vaporization: 59.06 kJ/mol; (21)Boiling Point: 346.4 °C at 760 mmHg; (22)Vapour Pressure: 5.75E-05 mmHg at 25°C.

Preparation and uses of 2-Amino-4-methyl-6-methoxy-1,3,5-triazine: It can be prepared by trimethyl orthoacetate and dicyandiamide in the presence of zinc chloride. And trimethyl orthoacetate can be obtained by acetonitrile and methanol in the presence of chlorine hydride. In addition, it is an intermediate in organic synthesises, and is used as a herbicide. What's more, it is chiefly used in papermaking, coatings, polymer emulsion and so on.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(nc(n1)N)C)C
(2)InChI: InChI=1/C5H8N4O/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
(3)InChIKey: NXFQWRWXEYTOTK-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	880mg/kg (880mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 66, Pg. 64, 1970.
mouse	LD50	oral	1010mg/kg (1010mg/kg)		Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 66, Pg. 64, 1970.