Physicochemical Properties
| Molecular Formula | C5H7N3O3 |
| Molecular Weight | 157.13 |
| Exact Mass | 157.048 |
| CAS # | 936-05-0 |
| Related CAS # | HMMNI-d3;1015855-78-3 |
| PubChem CID | 557356 |
| Appearance | Off-white to yellow solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 388.0±22.0 °C at 760 mmHg |
| Melting Point | 110-112ºC |
| Flash Point | 188.5±22.3 °C |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.634 |
| LogP | -0.49 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 11 |
| Complexity | 158 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | JSAQDPJIVQMBAY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3 |
| Chemical Name | (1-methyl-5-nitroimidazol-2-yl)methanol |
| 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]. Rapid confirmatory method for the determination of 11 nitroimidazoles in egg using liquid chromatography tandem mass spectrometry. J Chromatogr A. 2009;1216(46):8101‐8109. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (636.42 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (13.24 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 20.8 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: ≥ 2.08 mg/mL (13.24 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 20.8 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.3642 mL | 31.8208 mL | 63.6416 mL | |
| 5 mM | 1.2728 mL | 6.3642 mL | 12.7283 mL | |
| 10 mM | 0.6364 mL | 3.1821 mL | 6.3642 mL |