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The 3H-Imidazo[4,5-f]quinoxalin-2-amine,8-methyl-3-(methyl-d3)-, with the CAS registry number 122457-31-2, is also known as 2-Amino-3-(methyl-d3)-8-methylimidazo[4,5-f ]quinoxaline. It belongs to the product categories of Isotope Labeled Compounds; Mutagenesis Research Chemicals. This chemical's molecular formula is C11H8D3N5 and molecular weight is 216.26. What's more, its systematic name is 8-methyl-3-(2H3)methyl-3H-imidazo[4,5-f]quinoxalin-2-amine.
Physical properties of 3H-Imidazo[4,5-f]quinoxalin-2-amine,8-methyl-3-(methyl-d3)- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.7; (6)ACD/BCF (pH 7.4): 6.7; (7)ACD/KOC (pH 5.5): 135.72; (8)ACD/KOC (pH 7.4): 135.87; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.84 Å2; (13)Index of Refraction: 1.776; (14)Molar Refractivity: 60.25 cm3; (15)Molar Volume: 144.1 cm3; (16)Polarizability: 23.88×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 231 °C; (20)Enthalpy of Vaporization: 71.87 kJ/mol; (21)Boiling Point: 458.4 °C at 760 mmHg; (22)Vapour Pressure: 1.38E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])n2c3ccc1ncc(nc1c3nc2N)C
(2)InChI: InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)/i2D3
(3)InChIKey: DVCCCQNKIYNAKB-BMSJAHLVSA-N