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CAS No.: | 51913-96-3 |
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Name: | Biquinoline |
Molecular Structure: | |
Formula: | C18H12N2 |
Molecular Weight: | 256.3013 |
Synonyms: | 8-quinolin-8-ylquinoline; |
Density: | 1.223 g/cm3 |
Boiling Point: | 423.6 °C at 760 mmHg |
Flash Point: | 185.1 °C |
The CAS register number of Biquinoline is 51913-96-3. It also can be called as 8-quinolin-8-ylquinoline and the systematic name about this chemical is 8,8'-biquinoline. The molecular formula about this chemical is C18H12N2 and the molecular weight is 256.3013.
Physical properties about Biquinoline are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 3.69; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 370.83; (5)ACD/BCF (pH 7.4): 386.44; (6)ACD/KOC (pH 5.5): 2373.9; (7)ACD/KOC (pH 7.4): 2473.84; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78 Å2; (11)Index of Refraction: 1.72; (12)Molar Refractivity: 82.71 cm3; (13)Molar Volume: 209.3 cm3; (14)Polarizability: 32.78x10-24cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Density: 1.223 g/cm3; (17)Flash Point: 185.1 °C; (18)Enthalpy of Vaporization: 65.17 kJ/mol; (19)Boiling Point: 423.6 °C at 760 mmHg; (20)Vapour Pressure: 5.42E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c4c(ccc1)cccc4c2cccc3cccnc23
(2)InChI: InChI=1/C18H12N2/c1-5-13-7-3-11-19-17(13)15(9-1)16-10-2-6-14-8-4-12-20-18(14)16/h1-12H
(3)InChIKey: NCGTXVHJMVAXBB-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C18H12N2/c1-5-13-7-3-11-19-17(13)15(9-1)16-10-2-6-14-8-4-12-20-18(14)16/h1-12H
(5)Std. InChIKey: NCGTXVHJMVAXBB-UHFFFAOYSA-N