4-AMINO-5-FLUOROQUINAZOLINE

The 4-Quinazolinamine,5-fluoro-, with CAS registry number 137553-48-1, has the systematic name of 5-fluoroquinazolin-4-amine. Besides this, it is also called 4-Amino-5-fluoroquinazoline. Its molecular weight is 163.15. And the chemical formula of this chemical is C₈H₆FN₃.

Physical properties of 4-Quinazolinamine,5-fluoro-: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.73; (6)ACD/KOC (pH 5.5): 2.85; (7)ACD/KOC (pH 7.4): 64.46; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 29.02 Å²; (12)Index of Refraction: 1.689; (13)Molar Refractivity: 44.5 cm³; (14)Molar Volume: 116.4 cm³; (15)Polarizability: 17.64×10^-24cm³; (16)Surface Tension: 66.2 dyne/cm; (17)Density: 1.4 g/cm³; (18)Flash Point: 154.5 °C; (19)Enthalpy of Vaporization: 57.45 kJ/mol; (20)Boiling Point: 331.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000152 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Quinazolinamine,5-fluoro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2c1c(ncnc1N)ccc2
(2)InChI: InChI=1/C8H6FN3/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H,(H2,10,11,12)
(3)InChIKey: KKLLTCMELJRTDI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6FN3/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H,(H2,10,11,12)
(5)Std. InChIKey: KKLLTCMELJRTDI-UHFFFAOYSA-N