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792942-45-1

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Basic Information
CAS No.: 792942-45-1
Name: 4-(4-Bromophenyl)-6-methylpyrimidin-2-amine
Molecular Structure:
Molecular Structure of 792942-45-1 (4-(4-Bromophenyl)-6-methylpyrimidin-2-amine)
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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Specification

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