2-Amino-6-(4-fluorobenzylamino)-3-nitropyridine - CAS 33400-49-6
Catalog: |
BB021696 |
Product Name: |
2-Amino-6-(4-fluorobenzylamino)-3-nitropyridine |
CAS: |
33400-49-6 |
Synonyms: |
N6-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine; 6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine |
IUPAC Name: | 6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine |
Description: | Intermediate in the preparation of Flupirtine metabolites. |
Molecular Weight: | 262.24 |
Molecular Formula: | C12H11FN4O2 |
Canonical SMILES: | C1=CC(=CC=C1CNC2=NC(=C(C=C2)[N+](=O)[O-])N)F |
InChI: | InChI=1S/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) |
InChI Key: | ZVCIIRBNNSUNCH-UHFFFAOYSA-N |
Boiling Point: | 464.5 °C at 760 mmHg |
Flash Point: | 234.7°C |
Density: | 1.447 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD08282317 |
LogP: | 3.50060 |
Refractive Index: | 1.689 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2015304963-B2 | Quinolium conjugates of cyclosporin | 20140820 |
EP-3183006-A1 | Quinolium conjugates of cyclosporin | 20140820 |
EP-3183006-B1 | Quinolinium conjugates of cyclosporin | 20140820 |
US-10494404-B2 | Quinolinium conjugates of cyclosporin | 20140820 |
US-2017349632-A1 | Quinolium conjugates of cyclosporin | 20140820 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.08660377 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.08660377 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 96.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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