| Identification | |
| Name: | 2,6-Pyridinediamine,N6-[(4-fluorophenyl)methyl]-3-nitro- |
| Synonyms: | Pyridine,2-amino-6-[(p-fluorobenzyl)amino]-3-nitro- (8CI);2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine; |
| CAS: | 33400-49-6 |
| EINECS: | 251-498-3 |
| Molecular Formula: | C12H11FN4O2 |
| Molecular Weight: | 262.243 |
| InChI: | InChI=1/C12H11FN4O2/c13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11/h1-6H,7H2,(H3,14,15,16) |
| Molecular Structure: | ![(C12H11FN4O2) Pyridine,2-amino-6-[(p-fluorobenzyl)amino]-3-nitro- (8CI);2-Amino-3-nitro-6-(4-fluorobenzylamino)pyr...](https://img.guidechem.com/casimg/33400-49-6.gif) |
| Properties | |
| Density: | 1.447g/cm3 |
| Refractive index: | 1.689 |
| Appearance: | Yellow solid |
| Specification: |
The 2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine with cas registry number of 33400-49-6, its system generated number is 0033400496. Its systematic name is N~6~-(4-fluorobenzyl)-3-nitropyridine-2,6-diamine. And its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine. Physical properties about this chemical are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.36; (6)ACD/BCF (pH 7.4): 149.37; (7)ACD/KOC (pH 5.5): 1252.87; (8)ACD/KOC (pH 7.4): 1253; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.19 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 69.21 cm3; (15)Molar Volume: 181.1 cm3; (16)Polarizability: 27.43×10-24cm3; (17)Surface Tension: 68.3 dyne/cm; (18)Enthalpy of Vaporization: 72.59 kJ/mol; (19)Vapour Pressure: 8.35E-09 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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