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| CAS No.: | 175229-87-5 |
|---|---|
| Name: | 5-Quinolinamine,8-fluoro-(9CI) |
| Molecular Structure: | |
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| Formula: | C9H7FN2 |
| Molecular Weight: | 162.166 |
| Synonyms: | 5-Amino-8-fluoroquinoline; |
| Density: | 1.316 g/cm3 |
| Boiling Point: | 326.306 ºC at 760 mmHg |
| Flash Point: | 151.145 ºC |
| PSA: | 38.91000 |
| LogP: | 2.53730 |
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Specification
The 5-Amino-8-fluoroquinoline, with its CAS registry number 175229-87-5, has the systematic name of 8-fluoroquinolin-5-amine. And its product categories are including Halide. Besides, it has the chemical formula of C9H7FN2 and the molecular weight of 162.20.
The characteristics of 5-Amino-8-fluoroquinoline are as follows: (1)ACD/LogP: 0.71; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 105; (8)ACD/KOC (pH 7.4): 105; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 46.417 cm3; (15)Molar Volume: 123.263 cm3; (16)Polarizability: 18.401×10-24 cm3; (17)Surface Tension: 56.68 dyne/cm; (18)Density: 1.316 g/cm3; (19)Flash Point: 151.145 °C; (20)Enthalpy of Vaporization: 56.85 kJ/mol; (21)Boiling Point: 326.306 °C at 760 mmHg.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Fc1ccc(N)c2cccnc12
(2)InChI:InChI=1/C9H7FN2/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H,11H2
(3)InChIKey:VALHPDKWQSAKAA-UHFFFAOYAW