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| CAS No.: | 17890-82-3 |
|---|---|
| Name: | 2-Amino-3-cyano-5-methylpyrazine |
| Molecular Structure: | |
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| Formula: | C6H6N4 |
| Molecular Weight: | 134.14 |
| Synonyms: | 3-Amino-6-methylpyrazine-2-carbonitrile;MD-0180;2-Amino-3-cyano-5-methylpyrazine; |
| Density: | 1.27 g/cm3 |
| Melting Point: | 172 °C |
| Boiling Point: | 348.9 °C at 760 mmHg |
| Flash Point: | 348.9 °C at 760 mmHg |
| Appearance: | White solid |
| PSA: | 75.59000 |
| LogP: | 0.82008 |
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Specification
The 2-Pyrazinecarbonitrile, 3-amino-6-methyl-, with the CAS registry number 17890-82-3, is also known as 2-Amino-3-cyano-5-methylpyrazine. It belongs to the product category of Pyrazines, Pyrimidines & Pyridazines. This chemical's molecular formula is C6H6N4 and molecular weight is 134.14. What's more, its systematic name is 3-amino-6-methylpyrazine-2-carbonitrile.
Physical properties of 2-Pyrazinecarbonitrile, 3-amino-6-methyl- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.92; (6)ACD/BCF (pH 7.4): 12.92; (7)ACD/KOC (pH 5.5): 217.3; (8)ACD/KOC (pH 7.4): 217.3; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.81 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 35.15 cm3; (15)Molar Volume: 105.3 cm3; (16)Polarizability: 13.93×10-24cm3; (17)Surface Tension: 75.3 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 164.8 °C; (20)Enthalpy of Vaporization: 59.33 kJ/mol; (21)Boiling Point: 348.9 °C at 760 mmHg; (22)Vapour Pressure: 4.89E-05 mmHg at 25°C.
Preparation of 2-Pyrazinecarbonitrile, 3-amino-6-methyl-: this chemical can be prepared by 2-amino-3-bromo-5-methylpyrazine at the temperature of 120 - 130 °C. This reaction will need reagent NaCu(CN)2 and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 80%.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1nc(cnc1N)C
(2)InChI: InChI=1S/C6H6N4/c1-4-3-9-6(8)5(2-7)10-4/h3H,1H3,(H2,8,9)
(3)InChIKey: LURGZVKKNLPCSQ-UHFFFAOYSA-N