4'-(TERT-BUTYL)ACETANILIDE

The CAS register number of Acetamide,N-[4-(1,1-dimethylethyl)phenyl]- is 20330-45-4. It also can be called as p-t-Butylacetanilide and the systematic name about this chemical is N-(4-tert-butylphenyl)acetamide. The molecular formula about this chemical is C₁₂H₁₇NO and the molecular weight is 191.27.

Physical properties about Acetamide,N-[4-(1,1-dimethylethyl)phenyl]- are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.77; (3)ACD/LogD (pH 7.4): 2.77; (4)ACD/BCF (pH 5.5): 75.13; (5)ACD/BCF (pH 7.4): 75.13; (6)ACD/KOC (pH 5.5): 766.14; (7)ACD/KOC (pH 7.4): 766.16; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31Ų; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 58.91 cm³; (14)Molar Volume: 189.2 cm³; (15)Polarizability: 23.35x10^-24cm³; (16)Surface Tension: 34.6 dyne/cm; (17)Flash Point: 198.5 °C; (18)Enthalpy of Vaporization: 57.6 kJ/mol; (19)Boiling Point: 333.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000139 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and 4-tert-butyl-aniline. The reaction time is 2 hour(s) with reaction temperature of 110 °C.

Uses of Acetamide,N-[4-(1,1-dimethylethyl)phenyl]-: it can be used to produce N-(4-nitro-phenyl)-acetamide and acetic acid-(4-tert-butyl-2-nitro-anilide) at temperature of 0 °C. This reaction will need reagent HNO₃. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)C(C)(C)C)C
(2)InChI: InChI=1/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
(3)InChIKey: RMUYDDKCUZHVHY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
(5)Std. InChIKey: RMUYDDKCUZHVHY-UHFFFAOYSA-N