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| CAS No.: | 72797-16-1 |
|---|---|
| Name: | 2-ETHOXY-3-ISOPROPYLPYRAZINE |
| Molecular Structure: | |
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| Formula: | C9H14N2O |
| Molecular Weight: | 166.22 |
| Synonyms: | 2-Ethoxy-3-isopropylpyrazine;2-Ethoxy-3-propan-2-ylpyrazine; |
| EINECS: | 276-847-7 |
| Density: | 0.998 g/cm3 |
| Boiling Point: | 230.5 °C at 760 mmHg |
| Flash Point: | 78.8 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 35.01000 |
| LogP: | 1.99870 |
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Specification
The Pyrazine,2-ethoxy-3-(1-methylethyl)-, with the CAS registry number 72797-16-1, is also known as 2-Ethoxy-3-isopropylpyrazine. It belongs to the product categories of Alkoxypyrazines; Mono- & Polyalkylpyrazines; Pyrazines. Its EINECS number is 166.22. This chemical's molecular formula is C9H14N2O and molecular weight is 166.22. What's more, its IUPAC name is 2-ethoxy-3-propan-2-ylpyrazine.
Physical properties of Pyrazine,2-ethoxy-3-(1-methylethyl)- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.92; (6)ACD/BCF (pH 7.4): 57.92; (7)ACD/KOC (pH 5.5): 635.96; (8)ACD/KOC (pH 7.4): 635.99; (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: 1.487; (14)Molar Refractivity: 47.93 cm3; (15)Molar Volume: 166.4 cm3; (16)Polarizability: 19×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 0.998 g/cm3; (19)Flash Point: 78.8 °C; (20)Enthalpy of Vaporization: 44.81 kJ/mol; (21)Boiling Point: 230.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0995 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nccnc1C(C)C)CC
(2)Std. InChI: InChI=1S/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3
(3)Std. InChIKey: LTAUBPVQMBOANV-UHFFFAOYSA-N