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CAS No.: | 792942-45-1 |
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Name: | 4-(4-Bromophenyl)-6-methylpyrimidin-2-amine |
Molecular Structure: | |
Formula: | C11H10BrN3 |
Molecular Weight: | 264.12 |
Synonyms: | 4-Methyl-6-(4-bromophenyl)pyrimidin-2-amine; |
Density: | 1.501 g/cm3 |
Boiling Point: | 444.8 °C at 760 mmHg |
Flash Point: | 222.8 °C |
PSA: | 51.80000 |
LogP: | 3.37790 |
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The 4-(4-Bromophenyl)-6-methylpyrimidin-2-amine, with the CAS registry number 792942-45-1, is also known as 4-Methyl-6-(4-bromophenyl)pyrimidin-2-amine. This chemical's molecular formula is C11H10BrN3 and molecular weight is 264.12. What's more, its systematic name is called 4-(4-Bromophenyl)-6-methyl-pyrimidin-2-amine.
Physical properties about 4-(4-Bromophenyl)-6-methylpyrimidin-2-amine are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.9; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 51.8 Å2; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 63.77 cm3; (11)Molar Volume: 175.9 cm3; (12)Surface Tension: 56.7 dyne/cm; (13)Density: 1.501 g/cm3; (14)Flash Point: 222.8 °C; (15)Enthalpy of Vaporization: 70.27 kJ/mol; (16)Boiling Point: 444.8 °C at 760 mmHg; (17)Vapour Pressure: 4.15E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(nc(n1)N)c2ccc(cc2)Br
(2) InChI: InChI=1/C11H10BrN3/c1-7-6-10(15-11(13)14-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15)
(3) InChIKey: CGDOQGJOSRWKNU-UHFFFAOYAX