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CAS No.: | 927186-53-6 |
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Name: | 2-Pyridinamine, 5-iodo-3-nitro-6-[2-(4-nitrophenyl)ethoxy]- |
Molecular Structure: | |
Formula: | C13H11IN4O5 |
Molecular Weight: | 430.159 |
Synonyms: | 2-Pyridinamine, 5-iodo-3-nitro-6-[2-(4-nitrophenyl)ethoxy]-; |
Density: | 1.854g/cm3 |
Boiling Point: | 604.7 °C at 760 mmHg |
Flash Point: | 319.5 °C |
PSA: | 139.78000 |
LogP: | 4.33390 |
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The 2-Pyridinamine,5-iodo-3-nitro-6-[2-(4-nitrophenyl)ethoxy]-, with CAS registry number 927186-53-6, has the systematic name of 5-iodo-3-nitro-6-[2-(4-nitrophenyl)ethoxy]pyridin-2-amine. Besides this, it is also called 5-Iod-3-nitro-6-[2-(4-nitrophenyl)ethoxy]pyridin-2-amin. And the chemical formula of this chemical is C13H11IN4O5.
Physical properties of 2-Pyridinamine,5-iodo-3-nitro-6-[2-(4-nitrophenyl)ethoxy]-: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.49; (4)ACD/LogD (pH 7.4): 5.49; (5)#H bond acceptors: 9; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 139.78 Å2; (9)Index of Refraction: 1.707; (10)Molar Refractivity: 90.37 cm3; (11)Molar Volume: 231.9 cm3; (12)Polarizability: 35.82×10-24cm3; (13)Surface Tension: 74.9 dyne/cm; (14)Density: 1.854 g/cm3; (15)Flash Point: 319.5 °C; (16)Enthalpy of Vaporization: 89.92 kJ/mol; (17)Boiling Point: 604.7 °C at 760 mmHg; (18)Vapour Pressure: 1.42E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1CCOc2c(cc(c(n2)N)[N+](=O)[O-])I)[N+](=O)[O-]
(2)InChI: InChI=1/C13H11IN4O5/c14-10-7-11(18(21)22)12(15)16-13(10)23-6-5-8-1-3-9(4-2-8)17(19)20/h1-4,7H,5-6H2,(H2,15,16)
(3)InChIKey: SBDFFAAZZFZYLI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H11IN4O5/c14-10-7-11(18(21)22)12(15)16-13(10)23-6-5-8-1-3-9(4-2-8)17(19)20/h1-4,7H,5-6H2,(H2,15,16)
(5)Std. InChIKey: SBDFFAAZZFZYLI-UHFFFAOYSA-N