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| CAS No.: | 64321-24-0 |
|---|---|
| Name: | 2-Amino-6-chloronicotinamide |
| Molecular Structure: | |
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| Formula: | C6H6ClN3O |
| Molecular Weight: | 171.586 |
| Synonyms: | 2-Amino-6-chloropyridine-3-carboxamide; |
| Density: | 1.484 g/cm3 |
| Boiling Point: | 334.805 °C at 760 mmHg |
| Flash Point: | 156.285 °C |
| PSA: | 82.00000 |
| LogP: | 1.69760 |
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Specification
The 3-Pyridinecarboxamide, 2-amino-6-chloro-, with the CAS registry number 64321-24-0, is also known as 2-Amino-6-chloronicotinamide. This chemical's molecular formula is C6H6ClN3O and molecular weight is 171.59. What's more, its IUPAC name is called 2-Amino-6-chloropyridine-3-carboxamide.
Physical properties about 3-Pyridinecarboxamide, 2-amino-6-chloro- are: (1)ACD/LogP: 1.511; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.29; (6)ACD/BCF (pH 7.4): 8.29; (7)ACD/KOC (pH 5.5): 158.20; (8)ACD/KOC (pH 7.4): 158.20; (9)#H bond acceptors: 4 ; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 42.406 cm3; (15)Molar Volume: 115.589 cm3; (16)Polarizability: 16.811×10-24cm3; (17)Surface Tension: 72.730 dyne/cm; (18)Density: 1.484 g/cm3; (19)Flash Point: 156.285 °C; (20)Enthalpy of Vaporization: 57.78 kJ/mol; (21)Boiling Point: 334.805 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1ccc(Cl)nc1N
(2) InChI: InChI=1S/C6H6ClN3O/c7-4-2-1-3(6(9)11)5(8)10-4/h1-2H,(H2,8,10)(H2,9,11)
(3) InChIKey: RZXHKUYBBAQDGZ-UHFFFAOYSA-N