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CAS No.: | 18227-67-3 |
---|---|
Name: | 4-Pyridinamine, 3-methyl-5-nitro- |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H7N3O2 |
Molecular Weight: | 153.14 |
Synonyms: | 3-Picoline,4-amino-5-nitro- (8CI); |
Density: | 1.354 g/cm3 |
Melting Point: | 193 °C(Solv: water (7732-18-5)) |
Boiling Point: | 362.7 °C at 760 mmHg |
Flash Point: | 173.2 °C |
PSA: | 84.73000 |
LogP: | 1.98480 |
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The 4-Pyridinamine,3-methyl-5-nitro-, with the CAS registry number 18227-67-3, is also known as 4-Amino-5-methyl-3-nitropyridine. This chemical's molecular formula is C6H7N3O2 and molecular weight is 153.1387. Its systematic name is called 3-methyl-5-nitropyridin-4-amine.
Physical properties of 4-Pyridinamine,3-methyl-5-nitro-: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.53; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 7.7; (5)ACD/BCF (pH 7.4): 11.92; (6)ACD/KOC (pH 5.5): 132.27; (7)ACD/KOC (pH 7.4): 204.68; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 39.95 cm3; (13)Molar Volume: 113 cm3; (14)Surface Tension: 64.4 dyne/cm; (15)Density: 1.354 g/cm3; (16)Flash Point: 173.2 °C; (17)Enthalpy of Vaporization: 60.87 kJ/mol; (18)Boiling Point: 362.7 °C at 760 mmHg; (19)Vapour Pressure: 1.89E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cncc(c1N)C
(2)InChI: InChI=1/C6H7N3O2/c1-4-2-8-3-5(6(4)7)9(10)11/h2-3H,1H3,(H2,7,8)
(3)InChIKey: BFOWXBARPYDGQE-UHFFFAOYAE