4-Decylaniline (37529-30-9)

This chemical is called 4-Decylaniline, and its systematic name is 4-decylaniline. With the molecular formula of C₁₆H₂₇N, its molecular weight is 233.39. The CAS registry number of this chemical is 37529-30-9, and its product categories are Alkyl; Alkylanilines; Amines; C11 to C38; Nitrogen Compounds. In addition, this chemical should be stored in the sealed container, and it should be kept cool and dry.

Other characteristics of the 4-Decylaniline can be summarised as followings: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.07; (4)ACD/LogD (pH 7.4): 6.18; (5)ACD/BCF (pH 5.5): 22751.87; (6)ACD/BCF (pH 7.4): 29113.52; (7)ACD/KOC (pH 5.5): 42605.4; (8)ACD/KOC (pH 7.4): 54518.29; (9)#H bond acceptors: 1; (10)H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 77.1 cm³; (15)Molar Volume: 256.5 cm³; (16)Polarizability: 30.56×10^-24cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 0.909 g/cm³; (19)Flash Point: 150 °C; (20)Enthalpy of Vaporization: 61.06 kJ/mol; (21)Boiling Point: 364.4 °C at 760 mmHg; (22)Vapour Pressure: 1.69E-05 mmHg at 25°C.

Production method of this chemical: The 4-Decylaniline could be obtained by the reactants of aniline and decan-1-ol, the reagent of ZnCl₂. The yield is 49.1 % . In addition, this reaction should be taken for 21 hours at the temperature of 255 - 258 °C.

 

Uses of this chemical: The p,p'-Di-n-decyl-azobenzol could be obtained by the reactant of 4-Decylaniline, and the reagents of O₂, CuCl, pyridine. This reaction should be taken for 24 hour(s), and its yield is 80 %.



When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: Nc1ccc(cc1)CCCCCCCCCC
(2)InChI: InChI=1/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
(3)InChIKey: WGENWPANMZLPIH-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
(5)Std. InChIKey: WGENWPANMZLPIH-UHFFFAOYSA-N