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| CAS No.: | 2882-22-6 |
|---|---|
| Name: | 2-methoxy-5-methylpyrazine |
| Molecular Structure: | |
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| Formula: | C6H8N2O |
| Molecular Weight: | 124.142 |
| Synonyms: | 2-Methoxy-5-methylpyrazine;6-Methoxy-3-methylpyrazine;pyrazine, 2-methoxy-5-methyl-; |
| EINECS: | 220-738-9 |
| Density: | 1.068 g/cm3 |
| Boiling Point: | 167.8 °C at 760 mmHg |
| Flash Point: | 61.9 °C |
| PSA: | 35.01000 |
| LogP: | 0.79360 |
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Specification
The Pyrazine,2-methoxy-5-methyl-, with the CAS registry number 2882-22-6 and EINECS registry number 220-738-9, has the systematic name of 2-methoxy-5-methylpyrazine. It belongs to the product category of Heterocyclic Compounds. And the molecular formula of the chemical is C6H8N2O.
The characteristics of Pyrazine,2-methoxy-5-methyl- are as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.91; (6)ACD/BCF (pH 7.4): 4.91; (7)ACD/KOC (pH 5.5): 108.73; (8)ACD/KOC (pH 7.4): 108.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 33.93 cm3; (15)Molar Volume: 116.1 cm3; (16)Polarizability: 13.45×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 61.9 °C; (20)Enthalpy of Vaporization: 38.77 kJ/mol; (21)Boiling Point: 167.8 °C at 760 mmHg; (22)Vapour Pressure: 2.2 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ncc(nc1)C)C
(2)InChI: InChI=1/C6H8N2O/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3
(3)InChIKey: OHQNWZNVCSEVEQ-UHFFFAOYAR