Physicochemical Properties
| Molecular Formula | C8H10N4O2 |
| Molecular Weight | 194.19 |
| Exact Mass | 194.08 |
| CAS # | 6947-38-2 |
| PubChem CID | 245218 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.23g/cm3 |
| Boiling Point | 430.9ºC at 760 mmHg |
| Flash Point | 214.4ºC |
| Index of Refraction | 1.58 |
| LogP | 1.921 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 14 |
| Complexity | 182 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CN(c1ccc(cc1)N(C)N=O)N=O |
| InChi Key | WKDYJAMEXVFEEA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C8H10N4O2/c1-11(9-13)7-3-5-8(6-4-7)12(2)10-14/h3-6H,1-2H3 |
| Chemical Name | N-methyl-N-[4-[methyl(nitroso)amino]phenyl]nitrous amide |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | BNN3 produces NO, λEm (max): ~300 nm, using a laser beam or xenon lamp[1]. |
| References | [1]. Namiki S, et, al. Bis-N-nitroso-caged nitric oxides: photochemistry and biological performance test by rat aorta vasorelaxation. Bioorg Med Chem. 1999 Aug;7(8):1695-702. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (257.48 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (6.44 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1496 mL | 25.7480 mL | 51.4960 mL | |
| 5 mM | 1.0299 mL | 5.1496 mL | 10.2992 mL | |
| 10 mM | 0.5150 mL | 2.5748 mL | 5.1496 mL |