Physicochemical Properties
| Molecular Formula | C14H11N |
| Molecular Weight | 193.25 |
| Exact Mass | 193.089 |
| CAS # | 256-96-2 |
| Related CAS # | Iminostilbene-d4 |
| PubChem CID | 9212 |
| Appearance | Yellow to orange solid powder |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 349.1±22.0 °C at 760 mmHg |
| Melting Point | 197 °C |
| Flash Point | 178.4±17.8 °C |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.627 |
| LogP | 4.11 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 15 |
| Complexity | 222 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | N1([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12 |
| InChi Key | LCGTWRLJTMHIQZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H |
| Chemical Name | 11H-benzo[b][1]benzazepine |
| 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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]. Christian P, et al. Crystallization of Carbamazepine in Proximity to Its Precursor Iminostilbene and a Silica Surface. Cryst Growth Des. 2016 May 4;16(5):2771-2778. Epub 2016 Mar 30. |
| Additional Infomation | 5H-dibenzo[b,f]azepine is a mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings. It has a role as a marine xenobiotic metabolite. It is a mancude organic heterotricyclic parent and a dibenzoazepine. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (258.73 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.94 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 mg/mL clear DMSO 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1746 mL | 25.8732 mL | 51.7464 mL | |
| 5 mM | 1.0349 mL | 5.1746 mL | 10.3493 mL | |
| 10 mM | 0.5175 mL | 2.5873 mL | 5.1746 mL |