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CAS No.: | 13925-03-6 |
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Name: | 2-ethyl-6-methylpyrazine |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H10N2 |
Molecular Weight: | 122.17 |
Synonyms: | 2-Ethyl-6-methylpyrazine;2-Methyl-6-ethylpyrazine;6-Methyl-2-ethylpyrazine; |
EINECS: | 237-692-0 |
Density: | 0.977 g/cm3 |
Melting Point: | 57-63 °C |
Boiling Point: | 170.2 °C at 760 mmHg |
Flash Point: | 62.7 °C |
Appearance: | colourless to slightly yellow liquid with a roasted baked potato odour |
PSA: | 25.78000 |
LogP: | 1.34740 |
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This chemical is called Pyrazine, 2-ethyl-6-methyl-, and its systematic name is 2-Ethyl-6-methylpyrazine. With the molecular formula of C7H10N2, its molecular weight is 122.17. The CAS registry number of this chemical is 13925-03-6. Additionally, its product category is Pyrazines.
Other characteristics of the Pyrazine, 2-ethyl-6-methyl- can be summarised as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.58; (6)ACD/BCF (pH 7.4): 4.58; (7)ACD/KOC (pH 5.5): 103.4; (8)ACD/KOC (pH 7.4): 103.44; (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: 1.5; (14)Molar Refractivity: 36.8 cm3; (15)Molar Volume: 124.9 cm3; (16)Polarizability: 14.59×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.977 g/cm3; (19)Flash Point: 62.7 °C; (20)Enthalpy of Vaporization: 38.99 kJ/mol; (21)Boiling Point: 170.2 °C at 760 mmHg; (22)Vapour Pressure: 1.98 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1cc(nc(c1)CC)C
2.InChI: InChI=1/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3
3.InChIKey: RAFHQTNQEZECFL-UHFFFAOYAR