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CAS No.: | 604813-08-3 |
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Name: | 4-CHLORO-N-ISOPROPYL-PYRIDINE-2-CARBOXAMIDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H11ClN2O |
Molecular Weight: | 198.652 |
Synonyms: | 4-Chloro-N-isopropyl-2-pyridinecarboxamide; |
Density: | 1.18 g/cm3 |
Boiling Point: | 331.6 °C at 760 mmHg |
Flash Point: | 154.4 °C |
PSA: | 41.99000 |
LogP: | 2.26410 |
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The 2-Pyridinecarboxamide,4-chloro-N-(1-methylethyl)-, with CAS registry number 604813-08-3, belongs to the following product category: Pyridines. It has the systematic name of 4-chloro-N-(1-methylethyl)pyridine-2-carboxamide. And the chemical formula of this chemical is C9H11ClN2O.
Physical properties of 2-Pyridinecarboxamide,4-chloro-N-(1-methylethyl)-: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.32; (6)ACD/BCF (pH 7.4): 6.32; (7)ACD/KOC (pH 5.5): 130.2; (8)ACD/KOC (pH 7.4): 130.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.99 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 52.08 cm3; (15)Molar Volume: 168.3 cm3; (16)Polarizability: 20.64×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 154.4 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 331.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000154 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc(c1)C(=O)NC(C)C
(2)InChI: InChI=1/C9H11ClN2O/c1-6(2)12-9(13)8-5-7(10)3-4-11-8/h3-6H,1-2H3,(H,12,13)
(3)InChIKey: HTSYGJDVLDXZEN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H11ClN2O/c1-6(2)12-9(13)8-5-7(10)3-4-11-8/h3-6H,1-2H3,(H,12,13)
(5)Std. InChIKey: HTSYGJDVLDXZEN-UHFFFAOYSA-N