The [1, 1'-Biphenyl]-2-amine, 4'-methyl-, with the CAS registry number of 1204-43-9, is also known as 4'-Methylbiphenylamine. This chemical's molecular formula is C13H13N and molecular weight is 183.25. What's more, its systematic name is called 4'-Methylbiphenyl-2-amine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about [1, 1'-Biphenyl]-2-amine, 4'-methyl- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 140.68; (6)ACD/BCF (pH 7.4): 143.66; (7)ACD/KOC (pH 5.5): 1193.11; (8)ACD/KOC (pH 7.4): 1218.4; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 59.9 cm3; (15)Molar Volume: 173.2 cm3; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.057 g/cm3; (18)Flash Point: 156.1 °C; (19)Enthalpy of Vaporization: 56.02 kJ/mol; (20)Boiling Point: 318.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000355 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c2c(c1ccccc1N)ccc(c2)C
(2) InChI: InChI=1/C13H13N/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h2-9H,14H2,1H3
(3) InChIKey: POVQFNGGFMEIKA-UHFFFAOYAS
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