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CAS No.: | 52943-21-2 |
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Name: | 2-CHLORO-N,N-DIMETHYL-3-PYRIDINECARBOXAMIDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H9ClN2O |
Molecular Weight: | 184.625 |
Synonyms: | 2-Chloro-N,N-dimethylnicotinamide;N,N-Dimethyl-2-chloronicotinamide; |
Density: | 1.232 g/cm3 |
Melting Point: | 63-65℃ |
Boiling Point: | 330.673 °C at 760 mmHg |
Flash Point: | 153.786 °C |
PSA: | 33.20000 |
LogP: | 1.43680 |
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The 2-Chloro-N,N-dimethylnicotinamide with its cas register number is 52943-21-2. It also can be called as 2-Chloro-N,N-dimethyl-3-pyridinecarboxamide and the IUPAC Name about this chemical is 2-chloro-N,N-dimethylpyridine-3-carboxamide. It belongs to the pharmacetical.
Physical properties about 2-Chloro-N,N-dimethylnicotinamide are: (1)ACD/LogP: 0.31; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 42; (5)ACD/KOC (pH 7.4): 42; (6)#H bond acceptors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 33.2Å2; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 47.621 cm3; (11)Molar Volume: 149.898 cm3; (12)Polarizability: 18.879x10-24cm3; (13)Surface Tension: 44.863 dyne/cm; (14)Enthalpy of Vaporization: 57.327 kJ/mol.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C(=O)C1=C(N=CC=C1)Cl
(2)InChI: InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
(3)InChIKey: QNZRJGJNLOMEGJ-UHFFFAOYSA-N