6-BROMOHEXANEAMIDE

This chemical is called Hexanamide, 6-bromo-, and its systematic name is 6-bromohexanamide. With the molecular formula of C₆H₁₂BrNO, its molecular weight is 194.07. The CAS registry number of this chemical is 57817-55-7.

Other characteristics of the Hexanamide, 6-bromo- can be summarised as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.2; (6)ACD/BCF (pH 7.4): 2.2; (7)ACD/KOC (pH 5.5): 61.13; (8)ACD/KOC (pH 7.4): 61.13; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 41.14 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 16.31×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 150.8 °C; (20)Enthalpy of Vaporization: 56.79 kJ/mol; (21)Boiling Point: 325.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000225 mmHg at 25°C.

Production method of this chemical: The Hexanamide, 6-bromo- could be obtained by the reactant of 6-bromo-hexanoic acid. This reaction needs the reagents of S-(1-oxido-2-pyridinyl)-1,1,3,3-tetramethylthiouronium*PF₆-diisopropylethylamine, NH₄Cl, and the solvent of dimethylformamide. The yield is 93 %. In addition, this reaction should be taken for 30 minutes at the temperature of 20 °C.

Uses of this chemical: The 6-bromo-hexanenitrile could be obtained by the reactant of Hexanamide, 6-bromo-. This reaction needs the reagent of phosphorus pentoxide, and the solvent of various solvent(s). The yield is 66 %.

You can still convert the following datas into molecular structure: 
1.SMILES: BrCCCCCC(=O)N
2.InChI: InChI=1/C6H12BrNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9)
3.InChIKey: LGCGXHIRLZORQA-UHFFFAOYAY