| Identification | |
| Name: | 3-Pyridinecarboxamide,6-chloro-N-(1,1-dimethylethyl)- |
| Synonyms: | N-tert-butyl-6-chloropyridine-3-carboxamide; |
| CAS: | 115309-58-5 |
| Molecular Formula: | C10H13ClN2O |
| Molecular Weight: | 212.68 |
| InChI: | InChI=1/C10H13ClN2O/c1-10(2,3)13-9(14)7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.152 |
| Refractive index: | 1.526 |
| Specification: |
The 6-Chloro-N-tert-butylnicotinamide, with the CAS registry number 115309-58-5, is also known as N-tert-Butyl-6-chloronicotinamide and 6-Chloro-N-(1,1-dimethylethyl)-3-pyridinecarboxamide. This chemical's molecular formula is C10H13ClN2O and formula weight is 212.68. What's more, its systematic name is called N-tert-Butyl-6-chloropyridine-3-carboxamide. Physical properties about this chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.98; (6)ACD/BCF (pH 7.4): 21.98; (7)ACD/KOC (pH 5.5): 317.85; (8)ACD/KOC (pH 7.4): 317.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 56.72 cm3; (15)Molar Volume: 184.5 cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.152 g/cm3; (18)Flash Point: 171.1 °C; (19)Enthalpy of Vaporization: 60.48 kJ/mol; (20)Melting Point: 106.0-106.8 °C; (21)Boiling Point: 359.2 °C at 760 mmHg; (22)Vapour Pressure: 2.41E-05 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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