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2-Pyrazinecarbonitrile, 3-amino-6-methyl-

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Name

2-Pyrazinecarbonitrile, 3-amino-6-methyl-

EINECS N/A
CAS No. 17890-82-3 Density 1.27 g/cm3
PSA 75.59000 LogP 0.82008
Solubility N/A Melting Point 172 °C
Formula C6H6N4 Boiling Point 348.9 °C at 760 mmHg
Molecular Weight 134.14 Flash Point 348.9 °C at 760 mmHg
Transport Information N/A Appearance White solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17890-82-3 (2-Amino-3-cyano-5-methylpyrazine) Hazard Symbols N/A
Synonyms

3-Amino-6-methylpyrazine-2-carbonitrile;MD-0180;2-Amino-3-cyano-5-methylpyrazine;

Article Data 6

2-Pyrazinecarbonitrile, 3-amino-6-methyl- 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%.

2-Pyrazinecarbonitrile, 3-amino-6-methyl- can be prepared by 2-amino-3-bromo-5-methylpyrazine at the temperature of 120 - 130 °C

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

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