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| CAS No.: | 67845-28-7 |
|---|---|
| Name: | 2-METHYL-6-PROPOXYPYRAZINE |
| Molecular Structure: | |
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| Formula: | C8H12N2O |
| Molecular Weight: | 152.1937 |
| Synonyms: | Pyrazine, 2-methyl-6-propoxy-; |
| EINECS: | 267-306-6 |
| Density: | 1.02g/cm3 |
| Boiling Point: | 211.9 °C at 760 mmHg |
| Flash Point: | 75 °C |
| PSA: | 35.01000 |
| LogP: | 1.57380 |
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Specification
The 2-n-Propoxy-6-methylpyrazine, with the CAS registry number 67845-28-7, is also known as Pyrazine, 2-methyl-6-propoxy-. Its EINECS registry number is 267-306-6. This chemical's molecular formula is C8H12N2O and molecular weight is 152.1937. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyl-6-propoxypyrazine.
Physical properties about 2-n-Propoxy-6-methylpyrazine are: (1)ACD/LogP: 2.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.53; (6)ACD/BCF (pH 7.4): 31.54; (7)ACD/KOC (pH 5.5): 411.56; (8)ACD/KOC (pH 7.4): 411.59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 43.2 cm3; (15)Molar Volume: 149.1 cm3; (16)Surface Tension: 37.6 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 75 °C; (19)Enthalpy of Vaporization: 43 kJ/mol; (20)Boiling Point: 211.9 °C at 760 mmHg; (21)Vapour Pressure: 0.258 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1nc(cnc1)C)CCC
(2) InChI: InChI=1/C8H12N2O/c1-3-4-11-8-6-9-5-7(2)10-8/h5-6H,3-4H2,1-2H3
(3) InChIKey: RSYNIAMYGDKFMO-UHFFFAOYAJ