N-(4-butyl-2-nitrophenyl)acetamide

The Acetamide,N-(4-butyl-2-nitrophenyl)-, with the CAS registry number 3663-21-6 and EINECS registry number 222-915-6, has the systematic name of N-(4-butyl-2-nitrophenyl)acetamide. And the molecular formula of this chemical is C₁₂H₁₆N₂O₃. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Acetamide,N-(4-butyl-2-nitrophenyl)- are as following: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 123.35; (6)ACD/BCF (pH 7.4): 123.35; (7)ACD/KOC (pH 5.5): 1092.56; (8)ACD/KOC (pH 7.4): 1092.56; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 65.88 cm³; (15)Molar Volume: 200.1 cm³; (16)Polarizability: 26.11×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 211.3 °C; (20)Enthalpy of Vaporization: 68.04 kJ/mol; (21)Boiling Point: 425.7 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-07 mmHg at 25°C.

Preparation of Acetamide,N-(4-butyl-2-nitrophenyl)-: This reaction will need reagents fuming nitric acid, acetic anhydride, and the solvent acetic acid. The reaction time is 6 hours with temperature of -15°C, and the yield is about 70%.

Uses of Acetamide,N-(4-butyl-2-nitrophenyl)-: It can be used to produce 4-butyl-2-nitro-aniline. This reaction will need reagent aq. HCl. The reaction time is 17 hour with heating, and the yield is about 78.9%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(c1)CCCC)NC(=O)C
(2)InChI: InChI=1/C12H16N2O3/c1-3-4-5-10-6-7-11(13-9(2)15)12(8-10)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15)
(3)InChIKey: XXHAVEZHZLGQOE-UHFFFAOYAH