N-STEAROYL-P-AMINOPHENOL

The Octadecanamide,N-(4-hydroxyphenyl)-, with the CAS registry number 103-99-1, is also known as N-Stearoyl-4-aminophenol. Its EINECS number is 203-165-9. This chemical's molecular formula is C₂₄H₄₁NO₂ and molecular weight is 375.59. What's more, its systematic name is N-(4-Hydroxyphenyl)octadecanamide. If it is used and stored as specification, it will not decompose.
 

Physical properties of Octadecanamide,N-(4-hydroxyphenyl)- are: (1)ACD/LogP: 8.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.84; (4)ACD/LogD (pH 7.4): 8.84; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1534742.88; (8)ACD/KOC (pH 7.4): 1531166.25; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 116.53 cm³; (15)Molar Volume: 385 cm³; (16)Polarizability: 46.19×10^-24 cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 0.975 g/cm³; (19)Flash Point: 281.8 °C; (20)Enthalpy of Vaporization: 85.12 kJ/mol; (21)Boiling Point: 542.3 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-12 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-amino-phenol and octadecanoic acid at 60 °C. This reaction will need reagent Et₃N, 2-bromo-1-methylpyridinium iodide and solvent CH₂Cl₂ with the reaction time of 30 minutes. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing. It may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(O)cc1)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-22-18-20-23(26)21-19-22/h18-21,26H,2-17H2,1H3,(H,25,27)
(3)InChIKey: YASWBJXTHOXPGK-UHFFFAOYAI