| Identification | |
| Name: | 6-Isoquinolinecarbonitrile |
| Synonyms: | 6-Isoquinolinecarbonitrile(9CI);isoquinoline-6-carbonitrile;6-CYANOISOQUINOLINE |
| CAS: | 106778-42-1 |
| Molecular Formula: | C10H6N2 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C10H6N2/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-5,7H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.21 g/cm3 |
| Refractive index: | 1.654 |
| Specification: |
The 6-Cyanoisoquinoline, with the CAS registry number 106778-42-1, is also known as Isoquinoline-6-carbonitrile. It belongs to the product categories of isoquinoline. This chemical's molecular formula is C10H6N2 and formula weight is 154.17. What's more, its systematic name is called Isoquinoline-6-carbonitrile. Physical properties about this chemical are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.63; (6)ACD/BCF (pH 7.4): 6.74; (7)ACD/KOC (pH 5.5): 134.16; (8)ACD/KOC (pH 7.4): 136.44; (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)Surface Tension: 59.4 dyne/cm; (17)Density: 1.21 g/cm3; (18)Flash Point: 119.8 °C; (19)Enthalpy of Vaporization: 58.51 kJ/mol; (20)Boiling Point: 341.5 °C at 760 mmHg; (21)Vapour Pressure: 8.03E-05 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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