N,N-DIETHYL-4-NITROANILINE

The Benzenamine,N,N-diethyl-4-nitro-, with the CAS registry number of 2216-15-1, is also known as Diethyl-(4-nitrophenyl)amine. Its EINECS registry number is 218-685-1. This chemical's molecular formula is C₁₀H₁₄N₂O₂ and molecular weight is 194.23. What's more, its IUPAC name is N,N-Diethyl-4-nitroaniline.

Physical properties about the Benzenamine,N,N-diethyl-4-nitro- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 362.25; (6)ACD/BCF (pH 7.4): 362.48; (7)ACD/KOC (pH 5.5): 2361.93; (8)ACD/KOC (pH 7.4): 2363.41; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)Polar Surface Area: 49.06 Å²; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 56.37 cm³; (14)Molar Volume: 172.2 cm³; (15)Surface Tension: 44.2 dyne/cm; (16)Density: 1.127 g/cm³; (17)Flash Point: 144.9 °C; (18)Enthalpy of Vaporization: 55.72 kJ/mol; (19)Boiling Point: 315.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000424 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 1-Chloro-4-nitro-benzene with Diethylamine. The reaction needs solvent Tetrahydrofuran. The reaction time is 20 h with reaction temperature of 50 °C. The yield is about 39 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(4-Diethylamino-phenylamino)-1,4-diphenyl-but-2-ene-1,4-dione. This reaction needs reagent KOH. Meanwhile, it needs solvent Dimethylsulfoxide. The reaction temperature is 50 °C. The yield is about 78 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(N(CC)CC)cc1
(2) InChI: InChI=1/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3
(3) InChIKey: CFPIZMWTMRWZRO-UHFFFAOYAK