3H-Benz[e]indole,1,2,3-trimethyl- (881219-73-4)

The 1,2,3-Trimethyl-1H-benzo[e]indole, with the CAS registry number 881219-73-4, is also known as 1,2,3-Trimethyl-2,3-dihydro-1H-benzo[e]indole. This chemical's molecular formula is C₁₅H₁₅N and molecular weight is 209.29. Its systematic name is called 1H-benz[e]indole, 2,3-dihydro-1,2,3-trimethyl-.

Physical properties about 1,2,3-Trimethyl-1H-benzo[e]indole are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 289.03; (6)ACD/BCF (pH 7.4): 1213.52; (7)ACD/KOC (pH 5.5): 1320.88; (8)ACD/KOC (pH 7.4): 5545.81; (9)#H bond acceptors: 1; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 69.34 cm³; (12)Molar Volume: 203.6 cm³; (13)Surface Tension: 36.2 dyne/cm; (14)Density: 1.037 g/cm³; (15)Melting Point: 178-180 °C; (16)Flash Point: 135.8 °C; (17)Enthalpy of Vaporization: 56.53 kJ/mol; (18)Boiling Point: 323.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000264 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1c2c3ccccc3ccc2N(C1C)C
(2)InChI: InChI=1/C15H17N/c1-10-11(2)16(3)14-9-8-12-6-4-5-7-13(12)15(10)14/h4-11H,1-3H3
(3)InChIKey: DSSGJUZVTCMDDN-UHFFFAOYAF