4-AMINOPYRENE

The 4-Pyrenamine is an organic compound with the formula C₁₆H₁₁N. The IUPAC name of this chemical is pyren-4-amine. With the CAS registry number 17075-03-5, it is also named as 4-Aminopyrene.

Physical properties about 4-Pyrenamine are: (1)ACD/LogP: 3.89; (2)ACD/LogD (pH 5.5): 3.88; (3)ACD/LogD (pH 7.4): 3.89; (4)ACD/BCF (pH 5.5): 517.49; (5)ACD/BCF (pH 7.4): 531.41; (6)ACD/KOC (pH 5.5): 3026.16; (7)ACD/KOC (pH 7.4): 3107.6; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.904; (13)Molar Refractivity: 76.7 cm³; (14)Molar Volume: 164.2 cm³; (15)Polarizability: 30.4×10^-24cm³; (16)Surface Tension: 70.2 dyne/cm; (17)Density: 1.322 g/cm³; (18)Flash Point: 246.2 °C; (19)Enthalpy of Vaporization: 69.8 kJ/mol; (20)Boiling Point: 440.8 °C at 760 mmHg; (21)Vapour Pressure: 5.71E-08 mmHg at 25°C.

Preparation of 4-Pyrenamine: this chemical can be prepared by 4-nitro-pyrene. This reaction will need reagents Sn, aq. HCl and solvent ethanol.

Uses of 4-Pyrenamine: it can be used to produce 2,6-bis[(1-pyrenylimino)ethyl]pyridine at temperature of 50 °C. It will need reagent 97 percent HCOOH and solvent methanol with reaction time of 3 days. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: c3cc1cccc2cc(N)c4c(c12)c3ccc4
(2)InChI: InChI=1/C16H11N/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H,17H2
(3)InChIKey: AYBSKADMMKVOIV-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H11N/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H,17H2
(5)Std. InChIKey: AYBSKADMMKVOIV-UHFFFAOYSA-N