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| CAS No.: | 13438-65-8 |
|---|---|
| Name: | 3-Pyridinecarboxamide,2-amino-(9CI) |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C6H7N3O |
| Molecular Weight: | 137.141 |
| Synonyms: | 2-Aminonicotinamide; |
| Density: | 1.323g/cm3 |
| Melting Point: | 194-200℃ |
| Boiling Point: | 328.2°C at 760mmHg |
| Flash Point: | 152.3°C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36-43 |
| Safety: | 26-36/37 |
| PSA: | 82.00000 |
| LogP: | 1.04420 |
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Specification
The cas register number of Methyl 2-Aminonicotinamide is 13438-65-8. It also can be called as 3-Pyridinecarboxamide, 2-amino- and the Systematic name about this chemical is methyl 2-aminopyridine-3-carboxamide.
Physical properties about Methyl 4-pyridinylacetate are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 2.29; (7)ACD/KOC (pH 5.5): 53.11; (8)ACD/KOC (pH 7.4): 62.85; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.44Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 37.51 cm3; (15)Molar Volume: 103.6 cm3; (16)Surface Tension: 71.8 dyne/cm; (17)Density: 1.323 g/cm3; (18)Flash Point: 152.3 °C; (19)Enthalpy of Vaporization: 57.06 kJ/mol; (20)Boiling Point: 328.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000192 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C(c1cccnc1N)N
2.InChI: InChI=1/C6H7N3O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,7,9)(H2,8,10)
3.InChIKey: HTPCDVLWYUXWQR-UHFFFAOYAX
4.Std. InChI: InChI=1S/C6H7N3O/c7-5-4(6(8)10)2-1-3-9-5/h1-3H,(H2,7,9)(H2,8,10)