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CAS No.: | 5248-39-5 |
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Name: | 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H10N4O |
Molecular Weight: | 154.172 |
Synonyms: | s-Triazine,2-methoxy-4-methyl-6-(methylamino)- (7CI,8CI);2-Methyl-4-(methylamino)-6-methoxy-1,3,5-triazine;2-Amino-4-methyl-6-methoxy(N-methyl)-1,3,5-triazine; |
EINECS: | 401-360-5 |
Density: | 1.196 g/cm3 |
Melting Point: | 162-166 °C(lit.) |
Boiling Point: | 304.9 °C at 760 mmHg |
Flash Point: | 138.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38-48-48/22 |
Safety: | 26-36-22-2 |
PSA: | 59.93000 |
LogP: | 0.30330 |
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The 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine, with the CAS registry number 5248-39-5 and EINECS registry number 401-360-5, has the systematic name of 4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine. It belongs to the following product categories: Building Blocks; Heterocyclic Building Blocks; Triazines. And the molecular formula of this chemical is C6H10N4O.
The physical properties of 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine are as following: (1)ACD/LogP: -0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.15; (8)ACD/KOC (pH 7.4): 9.27; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.14 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 41.63 cm3; (15)Molar Volume: 128.8 cm3; (16)Polarizability: 16.5×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 138.2 °C; (20)Enthalpy of Vaporization: 54.54 kJ/mol; (21)Boiling Point: 304.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000847 mmHg at 25°C.
Preparation and use of 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine: It can be prepared by cyanuric chloride, magnesium bromide methane, methylamine and methanol. And it is used to produce tribenuron-methyl.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. In addition, it has danger of serious damage to health by prolonged exposure if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep out of the reach of children; Do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nc(nc(n1)NC)C)C
(2)InChI: InChI=1/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)
(3)InChIKey: MNDSUSQBIDHEJU-UHFFFAOYAJ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 400mg/kg (400mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 95, Pg. 512, 1975. | |
rat | LD50 | oral | 394mg/kg (394mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | National Technical Information Service. Vol. OTS0570716, |