CAS No.29460-90-0,2-ISOPROPYLPYRAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29460-90-0
Name:	2-ISOPROPYLPYRAZINE
Article Data:	6

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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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