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CAS No.: | 562825-95-0 |
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Name: | 4-(ETHYLAMINO)-3-NITROPYRIDINE |
Molecular Structure: | |
Formula: | C7H9N3O2 |
Molecular Weight: | 167.167 |
Synonyms: | 4-(Ethylamino)-3-nitropyridine; |
EINECS: | 200-258-5 |
Density: | 1.281 g/cm3 |
Boiling Point: | 309.407 °C at 760 mmHg |
Flash Point: | 140.924 °C |
PSA: | 70.74000 |
LogP: | 2.01780 |
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The 4-Pyridinamine, N-ethyl-3-nitro-, with the CAS registry number 562825-95-0, is also known as 4-(Ethylamino)-3-nitropyridine. This chemical's molecular formula is C7H9N3O2 and molecular weight is 167.1653. What's more, its IUPAC name is N-ethyl-3-nitropyridin-4-amine.
Physical properties about 4-Pyridinamine, N-ethyl-3-nitro- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 126; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.74 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 45.132 cm3; (15)Molar Volume: 130.462 cm3; (16)Polarizability: 17.892×10-24 cm3; (17)Surface Tension: 55.184 dyne/cm; (18)Density: 1.281 g/cm3; (19)Flash Point: 140.924 °C; (20)Enthalpy of Vaporization: 55.016 kJ/mol; (21)Boiling Point: 309.407 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1cnccc1NCC
(2) InChI: InChI=1/C7H9N3O2/c1-2-9-6-3-4-8-5-7(6)10(11)12/h3-5H,2H2,1H3,(H,8,9)
(3) InChIKey: RFSOTSMANIOZPD-UHFFFAOYAM