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CAS No.: | 22043-05-6 |
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Name: | 2-Ethyl-3, 5(6)-dimethylpyrazine |
Molecular Structure: | |
Formula: | C8H12N2 |
Molecular Weight: | 136.0 |
Synonyms: | pyrazine, 2-ethyl-3,5-dimethyl-; |
Density: | 0.964 g/cm3 |
Boiling Point: | 188.8 °C at 760 mmHg |
Flash Point: | 69.4 °C |
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The 2-Ethyl-3, 5(6)-dimethylpyrazine, with the CAS registry number of 22043-05-6, is also known as Pyrazine, 2-ethyl-3,5-dimethyl-. This chemical's molecular formula is C8H12N2 and molecular weight is 136.0. What's more, its systematic name is 2-Ethyl-3,5-dimethylpyrazine.
Physical properties about the 2-Ethyl-3, 5(6)-dimethylpyrazine are: (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)Surface Tension: 36.6 dyne/cm; (17)Density: 0.964 g/cm3; (18)Flash Point: 69.4 °C; (19)Enthalpy of Vaporization: 40.76 kJ/mol; (20)Boiling Point: 188.8 °C at 760 mmHg; (21)Vapour Pressure: 0.814 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cc(nc(c1CC)C)C
(2) InChI: InChI=1/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
(3) InChIKey: JZBCTZLGKSYRSF-UHFFFAOYAR