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This chemical is called 1-o-Tolylethylamine, and it can also be named as Benzenemethanamine, α,2-dimethyl-. Its molecular formula is C9H13N. The CAS registry number of this chemical is 42142-17-6, and its product categories are Amines and Anilines. Additionally, the systematic name of this chemical is 1-(2-Methylphenyl)ethanamine.
Other characteristics of the 1-o-Tolylethylamine can be summarised as follows: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 44.16 cm3; (9)Molar Volume: 142.9 cm3; (10)Polarizability: 17.5×10-24 cm3; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 0.945 g/cm3; (13)Flash Point: 84.6 °C; (14)Enthalpy of Vaporization: 44.56 kJ/mol; (15)Boiling Point: 209.3 °C at 760 mmHg; (16)Vapour Pressure: 0.204 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: NC(c1ccccc1C)C
2.InChI: InChI=1/C9H13N/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8H,10H2,1-2H3
3.InChIKey: ZCDYTNZJBGSKFI-UHFFFAOYAL