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CAS No.: | 179985-52-5 |
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Name: | 1-Acetamido-4-cyano-3-methylisoquinoline |
Molecular Structure: | |
Formula: | C13H11N3O |
Molecular Weight: | 225.25 |
Synonyms: | N-(4-Cyano-3-methylisoquinolin-1-yl)acetamide; |
Density: | 1.24 g/cm3 |
Melting Point: | 200-202 °C |
Boiling Point: | 489.7 °C at 760 mmHg |
Flash Point: | 250 °C |
Appearance: | Pink Solid |
PSA: | 65.78000 |
LogP: | 2.44628 |
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The Acetamide,N-(4-cyano-3-methyl-1-isoquinolinyl)-, with the CAS registry number 179985-52-5, has the systematic name of N-(4-cyano-3-methylisoquinolin-1-yl)acetamide. It is a kind of pink solid, and belongs to the product categories of Protein Kinase Inhibitors and Activators. In addition, it is a selective inhibitor of cyclic AMP-dependent protein kinase (PKA), and the molecular formula of this chemical is C13H11N3O.
The physical properties of Acetamide,N-(4-cyano-3-methyl-1-isoquinolinyl)- are as following: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 56.99 Å2; (7)Index of Refraction: 1.632; (8)Molar Refractivity: 64.32 cm3; (9)Molar Volume: 180.2 cm3; (10)Polarizability: 25.49×10-24cm3; (11)Surface Tension: 60.8 dyne/cm; (12)Density: 1.24 g/cm3; (13)Flash Point: 250 °C; (14)Enthalpy of Vaporization: 75.61 kJ/mol; (15)Boiling Point: 489.7 °C at 760 mmHg; (16)Vapour Pressure: 9.74E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c1ccccc1c(nc2C)NC(=O)C