N-ETHYL-P-TOLUIDINE

The Benzenamine,N-ethyl-4-methyl-, with CAS registry number 622-57-1, has the systematic name of N-ethyl-4-methylaniline. This chemical is a kind of dark colored liquid with an aromatic odor. The main use of this chemical is for organic synthesis. And the chemical formula of this chemical is C₉H₁₃N. What's more, its EINECS is 210-742-9.

Physical properties of Benzenamine,N-ethyl-4-methyl-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 21.94; (6)ACD/BCF (pH 7.4): 53.44; (7)ACD/KOC (pH 5.5): 245.14; (8)ACD/KOC (pH 7.4): 597.19; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 45.32 cm³; (15)Molar Volume: 141.6 cm³; (16)Polarizability: 17.96×10^-24cm³; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.954 g/cm³; (19)Flash Point: 84.1 °C; (20)Enthalpy of Vaporization: 45.39 kJ/mol; (21)Boiling Point: 217.6 °C at 760 mmHg; (22)Vapour Pressure: 0.132 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-aniline and bromoethane. This reaction will need reagent NaHCO₃ and solvent hexamethylphosphoric acid triamide. The reaction time is 48 hour(s) with reaction temperature of -10 - 25 ℃. The yield is about 58.8%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,N-ethyl-4-methyl- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. You should not breathe vapour. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)C)CC
(2)InChI: InChI=1/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
(3)InChIKey: AASABFUMCBTXRL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
(5)Std. InChIKey: AASABFUMCBTXRL-UHFFFAOYSA-N