Molecule structure of Naphtho(2,3-f)quinoline (CAS NO.224-98-6):
IUPAC Name: Naphtho[2,3-f]quinoline
Molecular Weight: 229.27594 g/mol
Molecular Formula: C17H11N
Density: 1.239 g/cm3
Boiling Point: 446 °C at 760 mmHg
Flash Point: 203.2 °C
Index of Refraction: 1.783
Molar Refractivity: 77.87 cm3
Molar Volume: 185 cm3
Polarizability: 30.87×10-24 cm3
Surface Tension: 59 dyne/cm
Enthalpy of Vaporization: 67.7 kJ/mol
Vapour Pressure: 9.93E-08 mmHg at 25 °C
XLogP3: 4.8
H-Bond Acceptor: 1
Exact Mass: 229.089149
MonoIsotopic Mass: 229.089149
Topological Polar Surface Area: 12.9
Heavy Atom Count: 18
Complexity: 300
Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC=N4
InChI: InChI=1S/C17H11N/c1-2-5-13-11-16-14(10-12(13)4-1)7-8-17-15(16)6-3-9-18-17/h1-11H
InChIKey of Naphtho(2,3-f)quinoline (CAS NO.224-98-6): AWIZFKXFPHTRHN-UHFFFAOYSA-N
1. | mma-sat 500 µg/plate | CRNGDP Carcinogenesis. 3 (1982),947. |
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Naphtho(2,3-f)quinoline (CAS NO.224-98-6) is also named as 1,2(N)-Pyridinoanthracene ; 4'-Aza-1,2-benzanthracene ; 4-Azabenz(a)anthracene ; 5-20-08-00518 (Beilstein Handbook Reference) ; BRN 0154950 ; NSC 400548 ; beta-Anthraquinoline .
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