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| CAS No.: | 132453-63-5 |
|---|---|
| Name: | N-(6-Chloro-2-pyrazinyl)acetamide |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H6ClN3O |
| Molecular Weight: | 171.58 |
| Synonyms: | 2-Chloro-6-acetylaminopyrazine; |
| Density: | 1.419 g/cm3 |
| Boiling Point: | 353.794 °C at 760 mmHg |
| Flash Point: | 167.769 °C |
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- Total:4 Page 1 of 1 1
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Specification
The N-(6-Chloro-2-pyrazinyl)acetamide is an organic compound with the formula C6H6ClN3O. The systematic name of this chemical is N-(6-chloropyrazin-2-yl)acetamide. With the CAS registry number 132453-63-5, it is also named as acetamide, N-(6-chloro-2-pyrazinyl)-.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 103; (8)ACD/KOC (pH 7.4): 103; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.88 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 41.602 cm3; (15)Molar Volume: 120.914 cm3; (16)Polarizability: 16.492×10-24 cm3; (17)Surface Tension: 59.046 dyne/cm; (18)Density: 1.419 g/cm3; (19)Flash Point: 167.769 °C; (20)Enthalpy of Vaporization: 59.876 kJ/mol; (21)Boiling Point: 353.794 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of N-(6-Chloro-2-pyrazinyl)acetamide: It can be obtained by acetic acid anhydride and 6-chloro-pyrazin-2-ylamine. This reaction needs solvent acetic acid at temperature of 95 °C. The reaction time is 2.5 hours. The yield is 95%.
acetamide.gif)
Uses of N-(6-Chloro-2-pyrazinyl)acetamide: It can react with diethylamine to get N-(6-diethylamino-pyrazin-2-yl)-acetamide. This reaction reacts at temperature of 200 °C for 18 hours. The yield is 68%.
acetamide.gif)
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cncc(NC(C)=O)n1
2. InChI:InChI=1/C6H6ClN3O/c1-4(11)9-6-3-8-2-5(7)10-6/h2-3H,1H3,(H,9,10,11)
3. InChIKey:ULFJKYKKTRODFV-UHFFFAOYAL