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| CAS No.: | 4093-89-4 |
|---|---|
| Name: | 2-METHYLAMINO-5-NITROPYRIDINE |
| Molecular Structure: | |
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| Formula: | C6H7N3O2 |
| Molecular Weight: | 153.14 |
| Synonyms: | Pyridine,2-(methylamino)-5-nitro- (6CI,7CI,8CI);2-(Methylamino)-5-nitropyridine;3-Nitro-6-methylaminopyridine;N-Methyl-5-nitropyridin-2-amine;NSC 102502; |
| Density: | 1.343 g/cm3 |
| Melting Point: | 178-180ºC |
| Boiling Point: | 300.8 °C at 760 mmHg |
| Flash Point: | 135.7 °C |
| Hazard Symbols: |
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| PSA: | 70.74000 |
| LogP: | 1.62770 |
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Specification
The 2-Methylamino-5-nitropyridine with the cas number 4093-89-4 is also called 2-Pyridinamine,N-methyl-5-nitro-. Both the systematic name and IUPAC name are N-methyl-5-nitropyridin-2-amine. Its molecular formula is C6H7N3O2. The product's category is CHIRAL CHEMICALS.
The properties of the chemical are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 10.06; (6)ACD/BCF (pH 7.4): 10.09; (7)ACD/KOC (pH 5.5): 181.45; (8)ACD/KOC (pH 7.4): 182.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.95 ?2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 40.49 cm3; (15)Molar Volume: 113.9 cm3; (16)Polarizability: 16.05 10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Enthalpy of Vaporization: 54.09 kJ/mol; (19)Vapour Pressure: 0.00109 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of 2-chloro-5-nitro-pyridine and methylamine. This reaction needs reagent Et3N and solvent ethanol at Ambient temperature
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Uses: This chemical can prepare methyl-(5-nitro-1-oxy-pyridin-2-yl)-amine. This reaction needs reagent MCPBA and solvent CHCl3 at Ambient temperature. The reaction time is 3 days. The yield is 52%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(NC)cc1
(2)InChI: InChI=1/C6H7N3O2/c1-7-6-3-2-5(4-8-6)9(10)11/h2-4H,1H3,(H,7,8)
(3)InChIKey: QCSKSRVVPACJEC-UHFFFAOYAQ