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CAS No.: | 70303-40-1 |
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Name: | 2-HEXYL-3,5-DIMETHYLPYRAZINE |
Molecular Structure: | |
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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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