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CAS No.: | 30357-42-7 |
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Name: | 4-methyl-6-(trichloromethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine |
Molecular Structure: | |
Formula: | C13H21Cl3N4 |
Molecular Weight: | 339.6916 |
Synonyms: | s-Triazine, 2-methyl-4-[(1,1,3,3-tetramethylbutyl)amino]-6-(trichloromethyl)- (8CI); |
Density: | 1.249 g/cm3 |
Boiling Point: | 403.3 °C at 760 mmHg |
Flash Point: | 197.7 °C |
PSA: | 0.00000 |
LogP: | 0.00000 |
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The CAS registry number of 1,3,5-Triazin-2-amine,4-methyl-N-(1,1,3,3-tetramethylbutyl)-6-(trichloromethyl)- is 30357-42-7. This chemical's molecular formula is C13H21Cl3N4 and molecular weight is 339.6916. Its systematic name is called 4-methyl-6-(trichloromethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.
Physical properties of 1,3,5-Triazin-2-amine,4-methyl-N-(1,1,3,3-tetramethylbutyl)-6-(trichloromethyl)-: (1)ACD/LogP: 4.71; (2)ACD/LogD (pH 5.5): 4.71; (3)ACD/LogD (pH 7.4): 4.71; (4)ACD/BCF (pH 5.5): 2242.26; (5)ACD/BCF (pH 7.4): 2242.52; (6)ACD/KOC (pH 5.5): 8709.68; (7)ACD/KOC (pH 7.4): 8710.7; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 86.35 cm3; (13)Molar Volume: 271.8 cm3; (14)Surface Tension: 43.7 dyne/cm; (15)Density: 1.249 g/cm3; (16)Flash Point: 197.7 °C; (17)Enthalpy of Vaporization: 65.45 kJ/mol; (18)Boiling Point: 403.3 °C at 760 mmHg; (19)Vapour Pressure: 1.03E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1nc(nc(n1)NC(CC(C)(C)C)(C)C)C
(2)InChI: InChI=1/C13H21Cl3N4/c1-8-17-9(13(14,15)16)19-10(18-8)20-12(5,6)7-11(2,3)4/h7H2,1-6H3,(H,17,18,19,20)
(3)InChIKey: IODMIAXIUROCNN-UHFFFAOYAG