4'-DIETHYLAMINOACETOPHENONE

The Ethanone,1-[4-(diethylamino)phenyl]-, with the CAS registry number 5520-66-1, is also known as 4'-(Diethylamino)acetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C₁₂H₁₇NO and molecular weight is 191.27. What's more, its systematic name is 1-[4-(diethylamino)phenyl]ethanone. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light. You should not breathe dust. When using it, you must avoid contact with skin and eyes. 

Physical properties of Ethanone,1-[4-(diethylamino)phenyl]- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 146.71; (6)ACD/BCF (pH 7.4): 149.13; (7)ACD/KOC (pH 5.5): 1231.18; (8)ACD/KOC (pH 7.4): 1251.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 59.86 cm³; (15)Molar Volume: 191.9 cm³; (16)Polarizability: 23.73×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 0.996 g/cm³; (19)Flash Point: 114.4 °C; (20)Enthalpy of Vaporization: 55.5 kJ/mol; (21)Boiling Point: 313.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000482 mmHg at 25°C.

Preparation of Ethanone,1-[4-(diethylamino)phenyl]-: this chemical can be prepared by 1-(4-amino-phenyl)-ethanone and sulfuric acid diethyl ester by heating. This reaction will need reagent diisopropylethylamine and solvent dioxane with the reaction time of 4 days. The yield is about 43%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)C
(2)InChI: InChI=1S/C12H17NO/c1-4-13(5-2)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
(3)InChIKey: HMIBQFXWSUBFTG-UHFFFAOYSA-N