Isoquinoline, 4-methyl- (1196-39-0)

The 4-Methylisoquinoline, with the cas registry number of 1196-39-0, is also known as Isoquinoline, 4-methyl-. It belongs to the product categories of Isoquinoline Derivertives; Aromatics Compounds; Aromatics. This chemical's molecular formula is C₁₀H₉N and formula weight is 143.18. What's more, both its IUPAC name and systematic name are the same which is called 4-Methylisoquinoline. This chemical is yellow oil.

Physical properties about this chemical are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 13.72; (6)ACD/BCF (pH 7.4): 39.47; (7)ACD/KOC (pH 5.5): 166.89; (8)ACD/KOC (pH 7.4): 479.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 47.01 cm³; (15)Molar Volume: 133 cm³; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 1.076 g/cm³; (18)Flash Point: 116.7 °C; (19)Enthalpy of Vaporization: 47.36 kJ/mol; (20)Boiling Point: 256 °C at 760 mmHg; (21)Vapour Pressure: 0.0253 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CN=CC2=CC=CC=C12;
(2)InChI: InChI=1S/C10H9N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-7H,1H3;
(3)InChIKey: OCOLIBYZTNPPAB-UHFFFAOYSA-N.