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17999-93-8

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Basic Information
CAS No.: 17999-93-8
Name: 1,1'-Bi[isoquinoline]
Article Data: 1
Molecular Structure:
Molecular Structure of 17999-93-8 (1,1'-Bi[isoquinoline])
Formula: C18H12N2
Molecular Weight: 256.307
Synonyms: Biisoquinoline;1,1'-Biisoquinolyl;1,1'-Diisoquinoline;NSC 338038;
Density: 1.223 g/cm3
Melting Point: 193-194℃ (ethanol )
Boiling Point: 426.6 °C at 760 mmHg
Flash Point: 162.3 °C
PSA: 25.78000
LogP: 4.45000
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Specification

The 1,1'-Biisoquinoline is an organic compound with the formula C18H12N2. The systematic name of this chemical is 1,1'-Biisoquinoline. With the CAS registry number 17999-93-8, it is also named as Biisoquinoline. Besides, its molecular weight is 256.30.

The physical properties of 1,1'-Biisoquinoline are: (1)ACD/LogP: 3.75; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 25.78 Å2; (5)Index of Refraction: 1.72; (6)Molar Refractivity: 82.71 cm3; (7)Molar Volume: 209.3 cm3; (8)Polarizability: 32.78×10-24 cm3; (9)Surface Tension: 57.4 dyne/cm; (10)Density: 1.223 g/cm3; (11)Flash Point: 162.3 °C; (12)Enthalpy of Vaporization: 65.5 kJ/mol; (13)Boiling Point: 426.6 °C at 760 mmHg; (14)Vapour Pressure: 4.36E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ccc1c(cccc1)c2c4nccc3ccccc34
(2)Std. InChI: InChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1-12H
(3)Std. InChIKey: MVVRNAUFPUDQIB-UHFFFAOYSA-N