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| CAS No.: | 190274-01-2 |
|---|---|
| Name: | 2-Amino-7-fluoroquinazoline |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H6FN3 |
| Molecular Weight: | 163.154 |
| Synonyms: | 2-Amino-7-fluoroquinazoline; |
| EINECS: | 604-604-1 |
| Density: | 1.401 g/cm3 |
| Boiling Point: | 373.659 °C at 760 mmHg |
| Flash Point: | 179.783 °C |
| PSA: | 51.80000 |
| LogP: | 1.93230 |
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Specification
The 2-Quinazolinamine,7-fluoro-, with the CAS registry number 190274-01-2, is also known as 2-Amino-7-fluoroquinazoline. It belongs to the product category of Halide. This chemical's molecular formula is C8H6FN3 and molecular weight is 163.1517432. What's more, both its IUPAC name and systematic name are the same which is called 7-Fluoroquinazolin-2-amine.
Physical properties about 2-Quinazolinamine,7-fluoro- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 61; (8)ACD/KOC (pH 7.4): 73; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 44.508 cm3; (15)Molar Volume: 116.487 cm3; (16)Surface Tension: 66.272 dyne/cm; (17)Density: 1.401 g/cm3; (18)Flash Point: 179.783 °C; (19)Enthalpy of Vaporization: 62.095 kJ/mol; (20)Boiling Point: 373.659 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc1c(nc(nc1)N)c2
(2) InChI: InChI=1/C8H6FN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-4H,(H2,10,11,12)
(3) InChIKey: LEJSJPUMRRROQB-UHFFFAOYAH