1H-Indole-3-carbonitrile,1,2-dimethyl- (51072-84-5)

The 1,2-Dimethyl-1H-indole-3-carbonitrile, with the CAS registry number 51072-84-5, is also known as 1H-Indole-3-carbonitrile, 1,2-dimethyl-. It belongs to the product category of Indole. This chemical's molecular formula is C₁₁H₁₀N₂ and molecular weight is 170.21. Its systematic name is called 1,2-dimethyl-1H-indole-3-carbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.592; (7)Molar Refractivity: 53.63 cm³; (8)Molar Volume: 158.4 cm³; (9)Surface Tension: 38.9 dyne/cm; (10)Density: 1.07 g/cm³; (11)Flash Point: 161.5 °C; (12)Melting Point: 103-105 °C; (13)Enthalpy of Vaporization: 58.72 kJ/mol; (14)Boiling Point: 343.4 °C at 760 mmHg; (15)Vapour Pressure: 7.07E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c1ccccc1n(c2C)C
(2)InChI: InChI=1/C11H10N2/c1-8-10(7-12)9-5-3-4-6-11(9)13(8)2/h3-6H,1-2H3
(3)InChIKey: QWHVKHABWPGMGT-UHFFFAOYAH