Molecule structure of Naphtho(1,8-gh:5,4-g'h')diquinoline (CAS NO.16566-62-4):
Molecular Weight: 304.34408 g/mol
Molecular Formula: C22H12N2
Density: 1.404 g/cm3
Boiling Point: 577.9 °C at 760 mmHg
Flash Point: 268.2 °C
Index of Refraction: 1.945
Molar Refractivity: 104.33 cm3
Molar Volume: 216.6 cm3
Polarizability: 41.36×10-24 cm3
Surface Tension: 78.8 dyne/cm
Enthalpy of Vaporization: 83.3 kJ/mol
Vapour Pressure: 9.43E-13 mmHg at 25 °C
XLogP3-AA: 5.6
H-Bond Acceptor: 2
Exact Mass: 304.100048
MonoIsotopic Mass: 304.100048
Topological Polar Surface Area: 25.8
Heavy Atom Count: 24
Complexity: 446
Canonical SMILES: C1=CC2=C(C3=C4C(=C2)C=CC5=C4C(=CC6=C5N=CC=C6)C=C3)N=C1
InChI: InChI=1S/C22H12N2/c1-3-15-11-13-5-8-18-20-14(12-16-4-2-10-24-22(16)18)6-7-17(19(13)20)21(15)23-9-1/h1-12H
InChIKey of Naphtho(1,8-gh:5,4-g'h')diquinoline (CAS NO.16566-62-4): NOTNAPGVLJPNRJ-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
Naphtho(1,8-gh:5,4-g'h')diquinoline (CAS NO.16566-62-4) is also named as 3,10-Diazadibenzo(d,k)pyrene ; 4,11-Diazadibenzo(a,h)pyrene ; Dipyrido(2,3-d,2,3-k)pyrene .
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