Basic information
- Name:
quinoline-6-carbonitrile
- CAS No.:
23395-72-4
- Molecular Structure:
- Formula:
- C10H6N2
- Molecular Weight:
- 154.168
- Density:
- 1.21g/cm3
- Boiling Point:
- 323.7 °C at 760 mmHg
- Flash Point:
- 115.5 °C
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Specification
The Quinoline-6-carbonitrile, with CAS registry number 23395-72-4, has the systematic name of quinoline-6-carbonitrile. Besides this, it is also called 6-quinolinecarbonitrile. Its molecular weight is 154.168. And the chemical formula of this chemical is C10H6N2.
Physical properties of Quinoline-6-carbonitrile: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.66; (6)ACD/BCF (pH 7.4): 10.76; (7)ACD/KOC (pH 5.5): 188.82; (8)ACD/KOC (pH 7.4): 190.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 46.67 cm3; (15)Molar Volume: 127.2 cm3; (16)Polarizability: 18.5×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 115.5 °C; (20)Enthalpy of Vaporization: 56.56 kJ/mol; (21)Boiling Point: 323.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000258 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc2ncccc2c1
(2)InChI: InChI=1/C10H6N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H
(3)InChIKey: NIFLNJLWZZABMI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H6N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H
(5)Std. InChIKey: NIFLNJLWZZABMI-UHFFFAOYSA-N