3-(N,N-Diethylamino)acetanilide

The IUPAC name of 3-(N,N-Diethylamino)acetanilide is N-[3-(diethylamino)phenyl]acetamide. With the CAS registry number 6375-46-8, it is also named as Acetamide, N-(3-(diethylamino)phenyl)-. The product's categories are Intermediates of Dyes and Pigments; C11 to C12; Carbonyl Compounds; Ketones, and the other registry number is 12239-22-4. Besides, it should be sealed in a dark, cool and dry place. In addition, its molecular formula is C₁₂H₁₈N₂O and molecular weight is 206.28.

The other characteristics of this product can be summarized as: (1)EINECS: 228-937-2; (2)ACD/LogP: 2.35; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.48; (5)ACD/LogD (pH 7.4): 2.32; (6)ACD/BCF (pH 5.5): 4.81; (7)ACD/BCF (pH 7.4): 33.35; (8)ACD/KOC (pH 5.5): 60.34; (9)ACD/KOC (pH 7.4): 418.71; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 23.55 Å²; (14)Index of Refraction: 1.576; (15)Molar Refractivity: 64.1 cm³; (16)Molar Volume: 193.5 cm³; (17)Polarizability: 25.41×10^-24cm³; (18)Surface Tension: 41.9 dyne/cm; (19)Density: 1.065 g/cm³; (20)Flash Point: 187 °C; (21)Melting point: 81-84 °C; (22)Enthalpy of Vaporization: 63.45 kJ/mol; (23)Boiling Point: 385.6 °C at 760 mmHg; (24)Vapour Pressure: 3.76E-06 mmHg at 25 °C.

Uses of 3-(N,N-Diethylamino)acetanilide: this chemical is used as dye intermediate. Additionally, it can react with quinoline-5,8-dione to get N-[5-diethylamino-2-(5,8-dioxo-5,8-dihydro-quinolin-6-yl)-phenyl]-acetamide.



This reaction needs copper(II) acetate monohydrate and acetic acid at temperature of 30 °C. The yield is 68 %.

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, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(Nc1cccc(N(CC)CC)c1)C
(2)InChI: InChI=1/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
(3)InChIKey: FPUKYOSOAAPHTN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
(5)Std. InChIKey: FPUKYOSOAAPHTN-UHFFFAOYSA-N