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

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Name

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

EINECS 216-790-7
CAS No. 1668-54-8 Density 1.255 g/cm3
PSA 73.92000 LogP 0.35200
Solubility N/A Melting Point 258-261 °C(lit.)
Formula C5H8N4O Boiling Point 346.4 °C at 760 mmHg
Molecular Weight 140.145 Flash Point 163.3 °C
Transport Information N/A Appearance off-white to light yellow powder
Safety 26-36-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 1668-54-8 (2-Amino-4-methoxy-6-methyl-1,3,5-triazine) Hazard Symbols HarmfulXn
Synonyms

2-Amino-4-methoxy-6-methyl-1,3,5-triazine;2-Amino-4-methoxy-6-methyl-s-triazine;2-Amino-4-methyl-6-methoxy-s-triazine;4-Methoxy-6-methyl-1,3,5-triazin-2-amine;A 4098;CV 399;IN-A 4098;s-Triazine,2-amino-4-methoxy-6-methyl- (7CI,8CI);

Article Data 22

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

Reported in EPA TSCA Inventory.

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

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 Å2; (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.

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