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CAS No.: | 55270-29-6 |
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Name: | 4,4'-Biisoquinoline |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C18H12N2 |
Molecular Weight: | 256.307 |
Density: | 1.223 g/cm3 |
Boiling Point: | 443.4 °C at 760 mmHg |
Flash Point: | 168.8 °C |
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This chemical is called 4,4'-Biisoquinoline, and its CAS registry number is 55270-29-6. With the molecular formula of C18H12N2, its molecular weight is 256.31.
Other characteristics of the 4,4'-Biisoquinoline can be summarised as followings: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.72; (8)Molar Refractivity: 82.71 cm3; (9)Molar Volume: 209.3 cm3; (10)Polarizability: 32.78×10-24cm3; (11)Surface Tension: 57.4 dyne/cm; (12)Density: 1.223 g/cm3; (13)Flash Point: 168.8 °C; (14)Enthalpy of Vaporization: 67.4 kJ/mol; (15)Boiling Point: 443.4 °C at 760 mmHg; (16)Vapour Pressure: 1.21E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n4cc1c(cccc1)c(c3c2c(cccc2)cnc3)c4
2.InChI: InChI=1/C18H12N2/c1-3-7-15-13(5-1)9-19-11-17(15)18-12-20-10-14-6-2-4-8-16(14)18/h1-12H
3.InChIKey: DHSKOHRCOPTBLB-UHFFFAOYAG