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1076198-72-5

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Basic Information
CAS No.: 1076198-72-5
Name: 2-(1-Acetoxyethyl)-3-ethyl-5-methylpyrazine
Molecular Structure:
Molecular Structure of 1076198-72-5 (2-(1-Acetoxyethyl)-3-ethyl-5-methylpyrazine)
Formula: C11H16N2O2
Molecular Weight: 208.26
Synonyms: 1-(3-Ethyl-5-methyl-pyrazin-2-yl)ethyl acetate;
Density: 1.067 g/cm3
Boiling Point: 269.7 °C at 760 mmHg
Flash Point: 116.9 °C
PSA: 52.08000
LogP: 1.97150
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Specification

The CAS registry number of 2-(1-Acetoxyethyl)-3-ethyl-5-methylpyrazine is 1076198-72-5. The systematic name is 1-(3-ethyl-5-methyl-pyrazin-2-yl)ethyl acetate. In addition, the molecular formula is C11H16N2O2 and the molecular weight is 208.26. It is a kind of brown oil and belongs to the classes of Aromatics Compounds; Aromatics; Heterocycles.

Physical properties about 2-(1-Acetoxyethyl)-3-ethyl-5-methylpyrazine are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.08 Å2; (9)Index of Refraction: 1.5; (10)Molar Refractivity: 57.4 cm3; (11)Molar Volume: 195 cm3; (12)Polarizability: 22.75 ×10-24cm3; (13)Surface Tension: 39.6 dyne/cm; (14)Density: 1.067 g/cm3; (15)Flash Point: 116.9 °C; (16)Enthalpy of Vaporization: 50.78 kJ/mol; (17)Boiling Point: 269.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00715 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1c(ncc(n1)C)C(C)OC(=O)C
(2)InChI: InChI=1/C11H16N2O2/c1-5-10-11(8(3)15-9(4)14)12-6-7(2)13-10/h6,8H,5H2,1-4H3
(3)InChIKey: WZCFNNCLFJHBNE-UHFFFAOYAL