Physicochemical Properties
Molecular Formula | C8H10N2O |
Molecular Weight | 150.18 |
Exact Mass | 150.079 |
CAS # | 538-32-9 |
PubChem CID | 10853 |
Appearance | White to off-white solid powder |
Density | 1.138g/cm3 |
Boiling Point | 282.9ºC at 760mmHg |
Melting Point | 149-151 °C(lit.) |
Flash Point | 124.9ºC |
Index of Refraction | 1.565 |
LogP | 1.946 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Heavy Atom Count | 11 |
Complexity | 130 |
Defined Atom Stereocenter Count | 0 |
InChi Key | RJNJWHFSKNJCTB-UHFFFAOYSA-N |
InChi Code | InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11) |
Chemical Name | benzylurea |
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
References |
[1]. Benzylamides from Salvadora persica. Arch Pharm Res. |
Solubility Data
Solubility (In Vitro) |
DMSO : 100 mg/mL (665.87 mM) Ethanol : 50 mg/mL (332.93 mM) H2O : 3.33 mg/mL (22.17 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (33.29 mM) (saturation unknown) in 10% EtOH + 40% PEG300 + 5% Tween80 + 45% Saline (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 50.0 mg/mL clear EtOH stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (33.29 mM) (saturation unknown) in 10% EtOH + 90% (20% SBE-β-CD in Saline) (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 50.0 mg/mL clear EtOH stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 5 mg/mL (33.29 mM) (saturation unknown) in 10% EtOH + 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 50.0 mg/mL clear EtOH stock solution to 900 μL of corn oil and mix well.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 6.6587 mL | 33.2934 mL | 66.5868 mL | |
5 mM | 1.3317 mL | 6.6587 mL | 13.3174 mL | |
10 mM | 0.6659 mL | 3.3293 mL | 6.6587 mL |