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70303-40-1

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Basic Information
CAS No.: 70303-40-1
Name: 2-HEXYL-3,5-DIMETHYLPYRAZINE
Molecular Structure:
Molecular Structure of 70303-40-1 (2-HEXYL-3,5-DIMETHYLPYRAZINE)
Formula: C12H20N2
Molecular Weight: 192.304
Synonyms: 2-HEXYL-3,5-DIMETHYLPYRAZINE
Density: 0.928 g/cm3
Boiling Point: 267.504 °C at 760 mmHg
Flash Point: 100.573 °C
PSA: 25.78000
LogP: 3.21620
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    2-HEXYL-3,5-DIMETHYLPYRAZINEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Pyrazine,2-hexyl-3,5-dimethyl- has CAS registry number 70303-40-1. This chemical's molecular formula is C12H20N2 and molecular weight is 192.30. What's more, its systematic name is 2-hexyl-3,5-dimethyl-pyrazine.

Physical properties of Pyrazine,2-hexyl-3,5-dimethyl- are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.494; (4)ACD/LogD (pH 7.4): 3.495; (5)ACD/BCF (pH 5.5): 266.006; (6)ACD/BCF (pH 7.4): 266.624; (7)ACD/KOC (pH 5.5): 1892.572; (8)ACD/KOC (pH 7.4): 1896.975; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 60.166 cm3; (15)Molar Volume: 207.275 cm3; (16)Polarizability: 23.852×10-24cm3; (17)Surface Tension: 35.681 dyne/cm; (18)Density: 0.928 g/cm3; (19)Flash Point: 100.573 °C; (20)Enthalpy of Vaporization: 48.516 kJ/mol; (21)Boiling Point: 267.504 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCc1c(nc(cn1)C)C
(2)Std. InChI: InChI=1S/C12H20N2/c1-4-5-6-7-8-12-11(3)14-10(2)9-13-12/h9H,4-8H2,1-3H3
(3)Std. InChIKey: MASDSRQGDJFGPI-UHFFFAOYSA-N