Physicochemical Properties
| Molecular Formula | C6H13CL2N3 |
| Molecular Weight | 198.09 |
| Exact Mass | 161.072 |
| CAS # | 6481-48-7 |
| Related CAS # | 1-Methylhistamine-d3 dihydrochloride;344299-49-6;1-Methylhistamine;501-75-7 |
| PubChem CID | 11957601 |
| Appearance | Off-white to gray solid powder |
| LogP | 1.423 |
| 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 | AGXVEALMQHTMSW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H11N3.2ClH/c1-9-4-6(2-3-7)8-5-9;;/h4-5H,2-3,7H2,1H3;2*1H |
| Chemical Name | 2-(1-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 |
| ln Vitro | 1-Methylhistamine dihydrochloride is the end result of histamine 1-methyltransferase in the metabolic pathway responsible for histidine [1]. |
| References |
[1]. Determination of urinary excretion of histamine and 1-methylhistamine by liquid chromatography. J Chromatogr B Biomed Appl. 1994 Apr 1;654(2):270-5. |
Solubility Data
| Solubility (In Vitro) | H2O :~62.5 mg/mL (~315.51 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (504.82 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (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 |