The [1,1'-Biphenyl]-3-amine,4'-methoxy-, with CAS registry number 53059-28-2, has the systematic name of 4'-methoxybiphenyl-3-amine. Besides this, it is also called 4'-Methoxy[1,1'-biphenyl]-3-amine hydrochloride. And the chemical formula of this chemical is C13H13NO.
Physical properties of [1,1'-Biphenyl]-3-amine,4'-methoxy-: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 27.51; (6)ACD/BCF (pH 7.4): 29.19; (7)ACD/KOC (pH 5.5): 366.89; (8)ACD/KOC (pH 7.4): 389.36; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 61.75 cm3; (15)Molar Volume: 181 cm3; (16)Polarizability: 24.48×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 196.5 °C; (20)Enthalpy of Vaporization: 62.52 kJ/mol; (21)Boiling Point: 377.5 °C at 760 mmHg; (22)Vapour Pressure: 6.74E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(c1cccc(N)c1)cc2)C
(2)InChI: InChI=1/C13H13NO/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9H,14H2,1H3
(3)InChIKey: ADYLUNBVPYENDY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H13NO/c1-15-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9H,14H2,1H3
(5)Std. InChIKey: ADYLUNBVPYENDY-UHFFFAOYSA-N
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