3,6-Diaminocarbazole

The 3,6-Diaminocarbazole, with the CAS registry number 86-71-5, is also known as Carbazole, 3,6-diamino-. It belongs to the product categories of Carbazoles; Carbazoles (for Conduting Polymer Research); Functional Materials; Highly Purified Reagents; Other Categories; Reagents for Conducting Polymer Research; Refined Products by Sublimation; Carbazole. Its EINECS number is 201-692-9. This chemical's molecular formula is C₁₂H₁₁N₃ and molecular weight is 197.24. What's more, its IUPAC name is 9H-carbazole-3,6-diamine.

Physical properties of 3,6-Diaminocarbazole are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 4.41; (7)ACD/KOC (pH 5.5): 55.97; (8)ACD/KOC (pH 7.4): 100.33; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 11.41 Å²; (13)Index of Refraction: 1.889; (14)Molar Refractivity: 64.84 cm³; (15)Molar Volume: 140.5 cm³; (16)Polarizability: 25.7×10^-24cm³; (17)Surface Tension: 84.5 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 305.7 °C; (20)Enthalpy of Vaporization: 80.14 kJ/mol; (21)Boiling Point: 526.9 °C at 760 mmHg; (22)Vapour Pressure: 3.42E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,6-dinitro-carbazole. This reaction will need reagent H₂ and solvent tetrahydrofuran with the reaction time of 4 days. This reaction will also need catalyst 5% Pd/C. The yield is about 91%.

Uses of 3,6-Diaminocarbazole: it can be used to produce 3,6-diphthalimidocarbazole by heating. It will need reagent pyridine with the reaction time of 6 hours. The yield is about 97%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1N)C3=C(N2)C=CC(=C3)N
(2)InChI: InChI=1S/C12H11N3/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H,13-14H2
(3)InChIKey: YCZUWQOJQGCZKG-UHFFFAOYSA-N