FEMA 3149

The Pyrazine,3-ethyl-2,5-dimethyl-, with CAS registry number 13360-65-1, has the systematic name of 3-ethyl-2,5-dimethylpyrazine. Besides this, it is also called 2,5-Dimethyl-3-ethylpyrazine. And the chemical formula of this chemical is C₈H₁₂N₂. What's more, its EINECS is 248-182-2.

Physical properties of Pyrazine,3-ethyl-2,5-dimethyl-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.23; (6)ACD/BCF (pH 7.4): 10.25; (7)ACD/KOC (pH 5.5): 183.87; (8)ACD/KOC (pH 7.4): 184.05; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 41.63 cm³; (15)Molar Volume: 141.2 cm³; (16)Polarizability: 16.5×10^-24cm³; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 0.964 g/cm³; (19)Flash Point: 69.4 °C; (20)Enthalpy of Vaporization: 39.97 kJ/mol; (21)Boiling Point: 180.5 °C at 760 mmHg; (22)Vapour Pressure: 1.21 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-2,5-dimethyl-pyrazine and diethylzinc. This reaction will need solvents tetrahydrofuran, hexane. The reaction time is 3 hour(s). The yield is about 71%.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. If 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: n1cc(nc(c1C)CC)C
(2)InChI: InChI=1/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
(3)InChIKey: WHMWOHBXYIZFPF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
(5)Std. InChIKey: WHMWOHBXYIZFPF-UHFFFAOYSA-N