The 4-Quinazolinamine,6-bromo-, with the CAS registry number 21419-48-7, is also known as 4-Amino-6-bromoquinazoline. This chemical's molecular formula is C8H6BrN3 and molecular weight is 224.06. What's more, its systematic name is 6-Bromoquinazolin-4-amine.
Physical properties of 4-Quinazolinamine,6-bromo- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 9.67; (7)ACD/KOC (pH 5.5): 7.09; (8)ACD/KOC (pH 7.4): 159.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 52.2 cm3; (15)Molar Volume: 128.4 cm3; (16)Polarizability: 20.69×10-24 cm3; (17)Surface Tension: 73.1 dyne/cm; (18)Density: 1.744 g/cm3; (19)Flash Point: 186.9 °C; (20)Enthalpy of Vaporization: 63.42 kJ/mol; (21)Boiling Point: 385.4 °C at 760 mmHg; (22)Vapour Pressure: 3.82E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(ncnc1N)cc2
(2)InChI: InChI=1/C8H6BrN3/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H,(H2,10,11,12)
(3)InChIKey: FHCKWLXHKAPOBN-UHFFFAOYAJ
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