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CAS No.: | 13925-05-8 |
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Name: | 2-Methyl-5-(1-methylethyl)pyrazine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H12N2 |
Molecular Weight: | 136.197 |
Synonyms: | Pyrazine,2-isopropyl-5-methyl- (8CI);2-Isopropyl-5-methylpyrazine;2-Methyl-5-(1-methylethyl)pyrazine;2-Methyl-5-isopropylpyrazine;5-Isopropyl-2-methylpyrazine; |
Density: | 0.957 g/cm3 |
Boiling Point: | 187.9 °C at 760 mmHg |
Flash Point: | 70.7 °C |
Appearance: | white solid |
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The 2-Isopropyl-5-methylpyrazine is an organic compound with the formula C8H12N2. The systematic name of this chemical is 2-methyl-5-(propan-2-yl)pyrazine. With the CAS registry number 13925-05-8, it is also named as 5-Isopropyl-2-methylpyrazine.
Physical properties about 2-Isopropyl-5-methylpyrazine are: (1)ACD/LogP: 1.52 ; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 8.41; (5)ACD/BCF (pH 7.4): 8.41; (6)ACD/KOC (pH 5.5): 159.79; (7)ACD/KOC (pH 7.4): 159.83; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78 Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 41.44 cm3; (13)Molar Volume: 142.2 cm3; (14)Polarizability: 16.43×10-24cm3; (15)Surface Tension: 35.9 dyne/cm; (16)Density: 0.957 g/cm3; (17)Flash Point: 70.7 °C; (18)Enthalpy of Vaporization: 40.67 kJ/mol; (19)Boiling Point: 187.9 °C at 760 mmHg; (20)Vapour Pressure: 0.85 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cnc(c1)C(C)C)C
(2)InChI: InChI=1/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
(3)InChIKey: PGTQKVQDZHXLOP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
(5)Std. InChIKey: PGTQKVQDZHXLOP-UHFFFAOYSA-N