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29460-90-0

Basic Information
CAS No.: 29460-90-0
Name: 2-ISOPROPYLPYRAZINE
Article Data: 6
Molecular Structure:
Molecular Structure of 29460-90-0 (2-ISOPROPYLPYRAZINE)
Formula: C7H10N2
Molecular Weight: 122.17
Synonyms: Pyrazine,(1-methylethyl)- (9CI);Pyrazine, isopropyl- (8CI);(1-Methylethyl)pyrazine;Isopropylpyrazine;
EINECS: 249-646-7
Density: 0.969 g/cm3
Boiling Point: 169.8 °C at 760 mmHg
Flash Point: 62.7 °C
Appearance: Colorless to pale yellow clear liquid
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 25.78000
LogP: 1.60000
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  • 29460-90-0            C7H10N2        2-ISOPROPYLPYRAZINE

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Specification

The 2-Isopropylpyrazine, with cas registry number 29460-90-0, belongs to the following product categories: pyrazine Flavor. Its systematic name and its IUPAC name are the same, which is 2-(propan-2-yl)pyrazine. Besides this, it is also called pyrazine, 2-(1-methylethyl)-. What's more, its EINECS is 249-646-7.

Physical properties about this chemical are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.76; (6)ACD/BCF (pH 7.4): 3.76; (7)ACD/KOC (pH 5.5): 89.81; (8)ACD/KOC (pH 7.4): 89.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 36.62 cm3; (15)Molar Volume: 125.9 cm3; (16)Polarizability: 14.51×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Enthalpy of Vaporization: 38.95 kJ/mol; (19)Vapour Pressure: 2.01 mmHg at 25°C.

Uses of 2-Isopropylpyrazine: it can be used to produce isopropyl-pyrazine. This reaction will need reagent Mg and solvent tetrahydrofuran. The reaction time is 1 hour(s) with reaction temperature of 0 ℃. The yield is about 20%.

 

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnc(c1)C(C)C
(2)InChI: InChI=1/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3
(3)InChIKey: GIMBKDZNMKTZMG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3
(5)Std. InChIKey: GIMBKDZNMKTZMG-UHFFFAOYSA-N