4-(2-OCTYLAMINO)DIPHENYLAMINE

The 1,4-Benzenediamine,N1-(1-methylheptyl)-N4-phenyl- is an organic compound with the formula C₂₀H₂₈N₂. The IUPAC name of this chemical is 4-N-Octan-2-yl-1-N-phenylbenzene-1,4-diamine. With the CAS registry number 15233-47-3, it is also named as N-(1-methylheptyl)-N'-phenylbenzene-1,4-diamine. Besides, its molecular weight is 296.4497.

Physical properties about 1,4-Benzenediamine,N1-(1-methylheptyl)-N4-phenyl- are: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 5.45; (5)ACD/BCF (pH 5.5): 1291.61; (6)ACD/BCF (pH 7.4): 8046.86; (7)ACD/KOC (pH 5.5): 3420.28; (8)ACD/KOC (pH 7.4): 21308.75; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 97.62 cm³; (15)Molar Volume: 290.8 cm³; (16)Polarizability: 38.7×10^-24 cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.019 g/cm³; (19)Flash Point: 263.9 °C; (20)Enthalpy of Vaporization: 70.1 kJ/mol; (21)Boiling Point: 443.3 °C at 760 mmHg; (22)Vapour Pressure: 4.67E-08 mmHg at 25 °C.

Uses of 1,4-Benzenediamine,N1-(1-methylheptyl)-N4-phenyl-: it can be used to produce [4-(1-methyl-heptylimino)-cyclohexa-2,5-dienylidene]-phenyl-amine at temperature of 5 - 20 °C. It will need reagents Ag₂O; MgSO₄ and solvent toluene with reaction time of 20 hours. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3
(2)InChIKey: JQTYAZKTBXWQOM-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3
(4)Std. InChIKey: JQTYAZKTBXWQOM-UHFFFAOYSA-N