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2-Isopropyl-5-methylpyrazine

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Name

2-Isopropyl-5-methylpyrazine

EINECS N/A
CAS No. 13925-05-8 Density 0.957 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C8H12N2 Boiling Point 187.9 °C at 760 mmHg
Molecular Weight 136.197 Flash Point 70.7 °C
Transport Information N/A Appearance white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13925-05-8 (2-Methyl-5-(1-methylethyl)pyrazine) Hazard Symbols N/A
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;

Article Data 4

2-Isopropyl-5-methylpyrazine Specification

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

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