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CAS No.: | 16352-06-0 |
---|---|
Name: | 4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-OL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H6N4O |
Molecular Weight: | 126.118 |
Synonyms: | 1,3,5-Triazin-2(1H)-one,4-amino-6-methyl- (9CI);s-Triazin-2-ol, 4-amino-6-methyl- (6CI,7CI,8CI);4-Amino-6-methyl-1,3,5-triazin-2-ol;Acetoguanide;IN-B 5528; |
EINECS: | 200-589-5 |
Density: | 1.67 g/cm3 |
Melting Point: | >350 °C |
Boiling Point: | 233.3 °C at 760 mmHg |
Flash Point: | 94.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-39 |
PSA: | 84.92000 |
LogP: | 0.04900 |
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The 1,3,5-Triazin-2(1H)-one,6-amino-4-methyl- is an organic compound with the formula C4H6N4O. The systematic name of this chemical is 4-Amino-6-methyl-1,3,5-triazin-2(5H)-one. With the CAS registry number 16352-06-0, it is also named as 2-Amino-4-hydroxy-6-methyl-1,3,5-triazine. Besides, its molecular weight is 126.12.
Physical properties about 1,3,5-Triazin-2(1H)-one,6-amino-4-methyl- are: (1)ACD/LogP: -2.44; (2)ACD/LogD (pH 5.5): -2.44; (3)ACD/LogD (pH 7.4): -2.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.11; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)Polar Surface Area: 48.27 Å2; (11)Index of Refraction: 1.731; (12)Molar Refractivity: 30.16 cm3; (13)Molar Volume: 75.4 cm3; (14)Polarizability: 11.95×10-24 cm3; (15)Surface Tension: 70.2 dyne/cm; (16)Density: 1.67 g/cm3; (17)Flash Point: 94.9 °C; (18)Enthalpy of Vaporization: 47 kJ/mol; (19)Boiling Point: 233.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0564 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-Methoxy-6-methyl-[1,3,5]triazin-2-ylamine. This reaction will need reagent 1N aq. NaOH and solvent dimethylsulfoxide. The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H6N4O/c1-2-6-3(5)8-4(9)7-2/h1H3,(H3,5,6,7,8,9)
(2)InChIKey: UUTHDVPZNWJUFV-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C4H6N4O/c1-2-6-3(5)8-4(9)7-2/h1H3,(H3,5,6,7,8,9)
(4)Std. InChIKey: UUTHDVPZNWJUFV-UHFFFAOYSA-N