Physicochemical Properties
| Molecular Formula | C6H13CL2N3 |
| Molecular Weight | 198.09 |
| Exact Mass | 197.049 |
| CAS # | 36475-47-5 |
| PubChem CID | 16219689 |
| Appearance | Off-white to light yellow solid powder |
| Boiling Point | 353.3ºC at 760 mmHg |
| Melting Point | 268-270ºC |
| Flash Point | 167.5ºC |
| LogP | 2.225 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 11 |
| Complexity | 84.4 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | KWEIZIDNCJBKIY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H11N3.2ClH/c1-9-5-8-4-6(9)2-3-7;;/h4-5H,2-3,7H2,1H3;2*1H |
| Chemical Name | 2-(3-methylimidazol-4-yl)ethanamine;dihydrochloride |
| 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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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
| Targets | Human Endogenous Metabolite |
| References |
[1]. Methyl derivatives of histamine; interaction with histamine metabolism. Agents Actions. 1975;5(3):231-235. [2]. Ultrahigh-Performance Liquid Chromatography-High-Resolution Mass Spectrometry Metabolomics and Lipidomics Study of Stool from Transgenic Parkinson's Disease Mice Following Immunotherapy. J Proteome Res. 2020;19(1):424-431. |
Solubility Data
| Solubility (In Vitro) | DMSO :~12.5 mg/mL (~63.10 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (6.31 mM) (saturation unknown) in 10% DMSO + 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 12.5 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. Solubility in Formulation 2: ≥ 1.25 mg/mL (6.31 mM) (saturation unknown) in 10% DMSO + 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 12.5 mg/mL clear DMSO 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: ≥ 1.25 mg/mL (6.31 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 | 5.0482 mL | 25.2411 mL | 50.4821 mL | |
| 5 mM | 1.0096 mL | 5.0482 mL | 10.0964 mL | |
| 10 mM | 0.5048 mL | 2.5241 mL | 5.0482 mL |