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CAS No.: | 73896-36-3 |
---|---|
Name: | 2-Amino-6-methoxy-3-nitropyridine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C6H7N3O3 |
Molecular Weight: | 169.14 |
Synonyms: | (6-Methoxy-3-nitropyridin-2-yl)amine;2-Amino-3-nitro-6-methoxypyridine;6-Methoxy-3-nitro-2-pyridinamine; |
EINECS: | -0 |
Density: | 1.4 g/cm3 |
Melting Point: | 171-172 °C |
Boiling Point: | 338.5 °C at 760 mmHg |
Flash Point: | 158.5 °C |
Solubility: | not soluble in hot water, but slightly soluble in alcohol and ether |
Appearance: | yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/37/38-43 |
Safety: | 26-36/37 |
PSA: | 93.96000 |
LogP: | 1.68500 |
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The systematic name of this chemical is 6-methoxy-3-nitropyridin-2-amine. With the CAS registry number 73896-36-3, it is also named as 2-Pyridinamine, 6-methoxy-3-nitro-. The product's categories are pyridine; pyridine series; amines; pyridines derivates. It is yellow crystalline powder which is not soluble in hot water, but slightly soluble in alcohol and ether. Additionally, 2-Amino-6-methoxy-3-nitropyridine is used as intermediate of drug Tenatoprazole. People should seal it in the container and keep the container in a cool and dry place. And it must kept away from the oxide.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.01; (6)ACD/BCF (pH 7.4): 37.01; (7)ACD/KOC (pH 5.5): 461.54; (8)ACD/KOC (pH 7.4): 461.54; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 41.8 cm3; (14)Molar Volume: 120.7 cm3; (15)Polarizability: 16.57×10-24 cm3; (16)Surface Tension: 62.3 dyne/cm; (17)Flash Point: 158.5 °C; (18)Enthalpy of Vaporization: 58.19 kJ/mol; (19)Boiling Point: 338.5 °C at 760 mmHg; (20)Vapour Pressure: 9.75E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:COc1ccc(c(n1)N)[N+](=O)[O-]
2. InChI:InChI=1/C6H7N3O3/c1-12-5-3-2-4(9(10)11)6(7)8-5/h2-3H,1H3,(H2,7,8)
3. InChIKey:RDJILYVRVOTMTQ-UHFFFAOYAG